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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:21:57 UTC
Update Date2025-03-21 18:37:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115065
Frequency22.9
Structure
Chemical FormulaC13H18N2O
Molecular Mass218.1419
SMILESCC(=O)N1CCN(c2ccccc2C)CC1
InChI KeyJBTQRFMTDYRGLH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • aminotoluenes
  • aniline and substituted anilines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylarylamines
  • hydrocarbon derivatives
  • n-arylpiperazines
  • organic oxides
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • acetamide
  • aminotoluene
  • azacycle
  • aniline or substituted anilines
  • carboxamide group
  • phenylpiperazine
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • toluene
  • amine
  • n-arylpiperazine
  • organooxygen compound