U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C17H21NO3
Molecular Weight 287.3535
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Piperanine

SMILES

O=C(\C=C\CCC1=CC=C2OCOC2=C1)N3CCCCC3

InChI

InChIKey=QHWOFMXDKFORMO-XVNBXDOJSA-N
InChI=1S/C17H21NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h3,7-9,12H,1-2,4-6,10-11,13H2/b7-3+

HIDE SMILES / InChI

Molecular Formula C17H21NO3
Molecular Weight 287.3535
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
6.0 µM [EC50]
148.3 µM [EC50]

PubMed

Substance Class Chemical
Record UNII
GZC2LZ46CZ
Record Status Validated (UNII)
Record Version