(1-methylpiperidin-4-yl) acetate (CED0015565)

Record Information

Version

1.0

Creation Date

2026-08-24 16:19:03 UTC

Update Date

2026-08-24 16:19:03 UTC

SynCED ID

CED0015565

Secondary Accession Numbers

CHEM251751

Identification

Common Name

(1-methylpiperidin-4-yl) acetate

Class

Small Molecule

Description

(1-methylpiperidin-4-yl) acetate belongs to the piperidines, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C8H15NO2 and an average molecular weight of 157.21 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₅NO₂

Average Molecular Mass

157.210 g/mol

Monoisotopic Mass

157.110 g/mol

CAS Registry Number

6659-34-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H15NO2/c1-7(10)11-8-3-5-9(2)6-4-8/h8H,3-6H2,1-2H3

InChI Key

RWPYOAUYOSFJQV-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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

Not Available

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

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0097-9100000000-71a6aad07aaf309bbf9c	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0005-9100000000-bb715c06c2388fe79698	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9100000000-34d4a8dede7d85fdc42d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-15a217b4e646045404a4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-c01bbbf5bed889264ddb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9300000000-ab049178619db9111143	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9000000000-141d57e765f92c590e72	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
2176.0 Log mg/kg [1200:3900]	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
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	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
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	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
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

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	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.424 Statistical Significance 0.0153 Supporting Reference Compounds 385 E-value 119.187
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.424 Statistical Significance 0.0034 Supporting Reference Compounds 109 E-value 26.858
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.378 Statistical Significance 0.0234 Supporting Reference Compounds 297 E-value 182.401
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.378 Statistical Significance 0.0052 Supporting Reference Compounds 98 E-value 40.3259
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 0.378 Statistical Significance 0.0358 Supporting Reference Compounds 373 E-value 278.389
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08485	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.378 Statistical Significance 0.0017 Supporting Reference Compounds 38 E-value 13.0008
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P08483	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.316 Statistical Significance 0.0043 Supporting Reference Compounds 55 E-value 33.7866
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.316 Statistical Significance 0.0665 Supporting Reference Compounds 310 E-value 517.386
Click to view 3D structure	5-hydroxytryptamine receptor 1F	P30939	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.269 Low confidence Statistical Significance 0.0116 Supporting Reference Compounds 45 E-value 90.2272
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.264 Low confidence Statistical Significance 0.1017 Supporting Reference Compounds 365 E-value 791.727
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.264 Low confidence Statistical Significance 0.0985 Supporting Reference Compounds 337 E-value 767.126
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.278 Low confidence Statistical Significance 0.1445 Supporting Reference Compounds 565 E-value 1125.0
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.263 Low confidence Statistical Significance 0.2495 Supporting Reference Compounds 955 E-value 1942.26
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.263 Low confidence Statistical Significance 0.2308 Supporting Reference Compounds 823 E-value 1796.84
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.263 Low confidence Statistical Significance 0.2359 Supporting Reference Compounds 953 E-value 1836.77
Click to view 3D structure	Guanine nucleotide-binding protein G(i) subunit alpha-1	P63096	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.317 Statistical Significance 0.001 Supporting Reference Compounds 2 E-value 8.01847
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.256 Low confidence Statistical Significance 0.0995 Supporting Reference Compounds 266 E-value 774.911
Click to view 3D structure	Muscarinic acetylcholine receptor M3	Q8VH26	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.275 Low confidence Statistical Significance 0.0091 Supporting Reference Compounds 52 E-value 70.5314
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.278 Low confidence Statistical Significance 0.3346 Supporting Reference Compounds 1103 E-value 2604.91
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.263 Low confidence Statistical Significance 0.2977 Supporting Reference Compounds 686 E-value 2317.88
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.255 Low confidence Statistical Significance 0.2706 Supporting Reference Compounds 527 E-value 2106.68
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.286 Low confidence Statistical Significance 0.1016 Supporting Reference Compounds 203 E-value 790.792
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.244 Low confidence Statistical Significance 0.1614 Supporting Reference Compounds 297 E-value 1256.25
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.263 Low confidence Statistical Significance 0.2794 Supporting Reference Compounds 536 E-value 2175.42
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.255 Low confidence Statistical Significance 0.2495 Supporting Reference Compounds 425 E-value 1942.03