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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:19:38 UTC
Update Date2025-03-21 18:36:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00109478
Frequency24.4
Structure
Chemical FormulaC13H19N
Molecular Mass189.1518
SMILESCN1CCC(Cc2ccccc2)CC1
InChI KeyQLAQDAALXYBLIF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass benzylpiperidines
Direct Parent 4-benzylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • tertiary aliphatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • 4-benzylpiperidine
  • amine
  • tertiary amine