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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:07 UTC
Update Date2025-03-21 18:38:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120236
Frequency21.6
Structure
Chemical FormulaC12H18N2O
Molecular Mass206.1419
SMILESCOc1ccc(N2CCN(C)CC2)cc1
InChI KeySTFZXSYENJXMQE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • aminophenyl ethers
  • aniline and substituted anilines
  • anisoles
  • azacyclic compounds
  • dialkylarylamines
  • hydrocarbon derivatives
  • methoxybenzenes
  • n-arylpiperazines
  • n-methylpiperazines
  • organopnictogen compounds
  • phenoxy compounds
  • trialkylamines
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • aminophenyl ether
  • tertiary amine
  • azacycle
  • aniline or substituted anilines
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • n-methylpiperazine
  • methoxybenzene
  • phenylpiperazine
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • amine
  • n-arylpiperazine
  • organooxygen compound