Record Information
Version1.0
Creation Date2016-05-22 04:42:23 UTC
Update Date2026-05-14 18:03:26 UTC
Accession NumberCHEM017869
Identification
Common NameN-Formylpiperidine
ClassSmall Molecule
Description
Contaminant Sources
  • FooDB Chemicals
  • STOFF IDENT Compounds
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
1-Formyl-piperidineHMDB
1-FormylpiperidineHMDB
1-PiperidinecarbaldehydeHMDB
FormylpiperidineHMDB
FPIHMDB
N-FormylpiperidinHMDB
N-FormylpiperidineHMDB
NFPHMDB
Piperidine-1-carbaldehydeHMDB
Piperidine-1-carboxaldehydeHMDB
Piperidine-N-carbaldehydeHMDB
PiperidinoformamideHMDB
Chemical FormulaC6H11NO
Average Molecular Mass113.158 g/mol
Monoisotopic Mass113.084 g/mol
CAS Registry Number2591-86-8
IUPAC Namepiperidine-1-carbaldehyde
Traditional NameN-formylpiperidine
SMILESO=CN1CCCCC1
InChI IdentifierInChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
InChI KeyFEWLNYSYJNLUOO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPiperidines
Sub ClassNot Available
Direct ParentPiperidines
Alternative Parents
Substituents
  • Piperidine
  • Tertiary carboxylic acid amide
  • Carboxamide group
  • Azacycle
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility282 g/LALOGPS
logP0.21ALOGPS
logP0.22ChemAxon
logS0.4ALOGPS
pKa (Strongest Basic)-0.01ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area20.31 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity31.91 m³·mol⁻¹ChemAxon
Polarizability12.5 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDDB04113
HMDB IDHMDB0031702
FooDB IDFDB008365
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID16486
ChEBI IDNot Available
PubChem Compound ID17429
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.