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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:32 UTC
Update Date2025-03-25 00:47:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159167
Frequency0.5
Structure
Chemical FormulaC16H23N3O2
Molecular Mass289.179
SMILESOCCOCCN1CCN(c2c[nH]c3ccccc23)CC1
InChI KeyVJAFCTZQDLVOHJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent n-arylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • azacyclic compounds
  • benzenoids
  • dialkyl ethers
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • n-alkylpiperazines
  • organopnictogen compounds
  • pyrroles
  • trialkylamines
  • Substituents
  • ether
  • indole
  • dialkyl ether
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • alcohol
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • indole or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound