Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:54 UTC
Update Date2025-03-25 00:59:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235406
Frequency0.5
Structure
Chemical FormulaC12H17NO
Molecular Mass191.131
SMILESCc1ccc(N2CCC(O)CC2)cc1
InChI KeyPPQIXIPJWPTBBW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass phenylpiperidines
Direct Parent phenylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aminotoluenes
  • aniline and substituted anilines
  • azacyclic compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • aminotoluene
  • aromatic heteromonocyclic compound
  • azacycle
  • aniline or substituted anilines
  • organic oxygen compound
  • phenylpiperidine
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dialkylarylamine
  • toluene
  • amine
  • tertiary amine
  • organooxygen compound