BENZENAMINE, 4-(4-(4-METHOXYPHENYL)-1-PIPERAZINYL)-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 49FH2V7SBG
EPA CompTox DTXSID00225817

Structure

InChI Key VXEGSRKPIUDPQT-UHFFFAOYSA-N
Smiles COc1ccc(cc1)N1CCN(CC1)c1ccc(N)cc1
InChI
InChI=1S/C17H21N3O/c1-21-17-8-6-16(7-9-17)20-12-10-19(11-13-20)15-4-2-14(18)3-5-15/h2-9H,10-13,18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H21N3O1
Molecular Weight 283.17
AlogP 2.6
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 41.73
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 74852-62-3
NORMAN SUSDAT
FDA SRS 49FH2V7SBG
PubChem 154406
ChemSpider 136033.0
CONTENTS