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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:43 UTC
Update Date2025-03-21 18:29:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00078316
Frequency37.4
Structure
Chemical FormulaC11H16N2
Molecular Mass176.1313
SMILESCN1CCN(c2ccccc2)CC1
InChI KeyWQDDXVGJRSTLED-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aniline and substituted anilines
  • azacyclic compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • n-arylpiperazines
  • n-methylpiperazines
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • aniline or substituted anilines
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • n-methylpiperazine
  • phenylpiperazine
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dialkylarylamine
  • amine
  • n-arylpiperazine
  • tertiary amine