4-Piperidinone, 2,2,6,6-tetramethyl- (CED0166991)

Record Information

Version

1.0

Creation Date

2016-05-19 04:46:19 UTC

Update Date

2026-08-25 14:23:03 UTC

SynCED ID

CED0166991

Secondary Accession Numbers

CHEM015225

Identification

Common Name

4-Piperidinone, 2,2,6,6-tetramethyl-

Class

Small Molecule

Description

4-Piperidinone, 2,2,6,6-tetramethyl- is an organoheterocyclic compound with the chemical formula C9H17NO and an average molecular weight of 155.24 g/mol. 4-Piperidinone, 2,2,6,6-tetramethyl- belongs to the piperidinones, a subclass of piperidines within the organic compounds. The compound has been identified in or released from eight recorded sources. Within the category of electrical and electronic equipment, it is found in antennas, discharge lamps, electric switches, and hybrid capacitors. It is also present in household cleaning and consumer products, specifically in bleaching agents and perfumes used within soaps and detergents. Additionally, the substance is recorded in drinking water and water supply systems, as well as in food contact materials used in food and food processing. Human exposure to 4-Piperidinone, 2,2,6,6-tetramethyl- may occur through oral ingestion, inhalation, or touch.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2,2,6, 6-Tetramethyl-4-piperidinone	HMDB
2,2,6,6-Tetramethyl-4-oxopiperidine	HMDB
2,2,6,6-Tetramethyl-4-piperidone	HMDB
2,2,6,6-Tetramethyl-g-piperidone	HMDB
2,2,6,6-Tetramethylpiperidin-4-one	HMDB
2,2,6,6-Tetramethylpiperidinone	HMDB
2,2,6,6-Tetramethylpiperidone	HMDB
2,2,6,6-Tetramethylpiperidone-4-toluene-p- sulfonate	HMDB
4-oxo-2,2,6,6-Tetramethyl-4-piperidone	HMDB
4-oxo-2,2,6,6-Tetramethylpiperidine	HMDB
Odoratin?	HMDB
Odoratine	HMDB
Tempidon	HMDB
Tmpone	HMDB
Triacetonamin	HMDB
Triacetonamine	HMDB
Triacetone amine	HMDB
Triacetoneamine	HMDB
Trojacetonoaminy	HMDB
Vincubina	HMDB
Vincubine	HMDB
Tempidon hydrochloride	HMDB
Tempidon 4-methylbenzenesulfonate	HMDB
Tempidon sulfate	HMDB
2,2,6,6-Tetramethylpiperidone-4-toluene-p-sulfonate	HMDB

Chemical Formula

C₉H₁₇NO

Average Molecular Mass

155.237 g/mol

Monoisotopic Mass

155.131 g/mol

CAS Registry Number

826-36-8

IUPAC Name

2,2,6,6-tetramethylpiperidin-4-one

Traditional Name

triacetone amine

SMILES

CC1(C)CC(=O)CC(C)(C)N1

InChI Identifier

InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3

InChI Key

JWUXJYZVKZKLTJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as piperidinones. Piperidinones are compounds containing a piperidine ring which bears a ketone.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Piperidines

Sub Class

Piperidinones

Direct Parent

Piperidinones

Alternative Parents

Substituents

Piperidinone
Ketone
Cyclic ketone
Secondary aliphatic amine
Secondary amine
Azacycle
Organopnictogen compound
Amine
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

metabolite (PMC13415350 )?A chemical produced during metabolism process, as an intermediate or end-product
radical scavenger (PMC10825629 )?
spin trapping reagent (PMC13234253 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	19.9 g/L	ALOGPS
logP	1.24	ALOGPS
logP	1.18	ChemAxon
logS	-0.89	ALOGPS
pKa (Strongest Acidic)	18.61	ChemAxon
pKa (Strongest Basic)	8.5	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	29.1 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	45.28 m³·mol⁻¹	ChemAxon
Polarizability	18.02 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-0536-9300000000-7e39d8f6bb4027145493	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0536-9300000000-7e39d8f6bb4027145493	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0btd-9500000000-6054d66109b53cfd4a5b	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0900000000-9a72274208611396392b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a4i-0900000000-8737e9dbfa626f84efd2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-1900000000-07009b2dc27886e58fda	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-6900000000-2f22036288c5edcdc725	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a5c-9100000000-e6ba05d34647c96206fc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0900000000-4b1d5312c8b70c0ba1f6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0900000000-225d7d089b0ff1eab3f6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0abi-9600000000-055fd7455c182f084f91	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0900000000-2dd61f17ddc1a944250e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0w29-0900000000-d39d2724ad48aafa6d21	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9200000000-5b92def7e66197390418	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9600000000-4e17935377cb9c87e971	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-bb3fd4ca35a64da356d3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9000000000-ed6aa5d6c0470a07c8b6	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
990.0 Log mg/kg [560:1800]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000115	Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.	Drinking water & water supply	Not Available
CEDs000181	Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.	Marine, shipping & aquaculture	PubChem
CEDs000182	Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.	Marine, shipping & aquaculture	PubChem
CEDs000494	Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.	Food, food processing & cookware	Not Available
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000514	Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.	Electrical & Electronic Equipment	PubChem
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000555	Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.	Household cleaning & consumer products	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000581	Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.	Industrial manufacturing & chemical processing	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000655	Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.	Textiles, leather & furnishings	PubChem
CEDs000657	Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000684	Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.	Building & Construction	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000742	Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.	Textiles, leather & furnishings	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform	Q76MZ3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.233 Low confidence Statistical Significance 3.00e-05 Supporting Reference Compounds 1 E-value 0.233548
Click to view 3D structure	Extended-spectrum beta-lactamase PER-6	D5HSX5	Aeromonas allosaccharophila	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 9.90e-04 Supporting Reference Compounds 1 E-value 7.70707
Click to view 3D structure	ADC-14 protein	Q0VTR6	Acinetobacter genomosp. 3	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 9.90e-04 Supporting Reference Compounds 1 E-value 7.70707
Click to view 3D structure	Beta-lactamase SHV-11	Q7X575	Escherichia coli	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 9.90e-04 Supporting Reference Compounds 1 E-value 7.70707
Click to view 3D structure	ADC-16 protein	Q0VTR8	Acinetobacter genomosp. 3	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.184 Low confidence Statistical Significance 9.90e-04 Supporting Reference Compounds 1 E-value 7.70707
Click to view 3D structure	Envelope glycoprotein gp160	P35961	HIV-1	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.238 Low confidence Statistical Significance 0.0993 Supporting Reference Compounds 3 E-value 772.965
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.18 Low confidence Statistical Significance 0.9788 Supporting Reference Compounds 1157 E-value 7619.57
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase, chloroplastic	Q38854	Arabidopsis thaliana	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.04 Supporting Reference Compounds 1 E-value 311.085
Click to view 3D structure	Poly [ADP-ribose] polymerase 1	P09874	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.191 Low confidence Statistical Significance 0.8348 Supporting Reference Compounds 146 E-value 6498.78
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.186 Low confidence Statistical Significance 0.3045 Supporting Reference Compounds 73 E-value 2370.2
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.186 Low confidence Statistical Significance 0.6789 Supporting Reference Compounds 127 E-value 5285.34
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.25 Low confidence Statistical Significance 0.8871 Supporting Reference Compounds 296 E-value 6905.69
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.167 Low confidence Statistical Significance 0.8092 Supporting Reference Compounds 221 E-value 6299.48
Click to view 3D structure	Adenosine receptor A1	P47745	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.167 Low confidence Statistical Significance 0.1794 Supporting Reference Compounds 38 E-value 1397.0
Click to view 3D structure	Prostaglandin reductase 1	P97584	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 1 E-value 13.6236
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.182 Low confidence Statistical Significance 0.608 Supporting Reference Compounds 54 E-value 4733.08
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.182 Low confidence Statistical Significance 0.0194 Supporting Reference Compounds 21 E-value 151.027
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.182 Low confidence Statistical Significance 0.0417 Supporting Reference Compounds 33 E-value 325.021
Click to view 3D structure	Sex hormone-binding globulin	P08689	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.182 Low confidence Statistical Significance 0.0056 Supporting Reference Compounds 2 E-value 43.5177
Click to view 3D structure	Gamma-aminobutyric acid receptor subunit alpha-4	P28471	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.159 Low confidence Statistical Significance 0.0049 Supporting Reference Compounds 1 E-value 38.0683
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.18 Low confidence Statistical Significance 0.9771 Supporting Reference Compounds 754 E-value 7606.8
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.167 Low confidence Statistical Significance 0.968 Supporting Reference Compounds 391 E-value 7536.04
Click to view 3D structure	Poly [ADP-ribose] polymerase tankyrase-2	Q9H2K2	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.191 Low confidence Statistical Significance 0.8209 Supporting Reference Compounds 90 E-value 6390.72
Click to view 3D structure	Adenosine receptor A1	P30542	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.163 Low confidence Statistical Significance 0.9546 Supporting Reference Compounds 302 E-value 7431.49
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.182 Low confidence Statistical Significance 0.1428 Supporting Reference Compounds 40 E-value 1112.08