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 C16H17NO3
Molecular Weight 271.3111
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of PIPERYLINE

SMILES

O=C(\C=C\C=C\C1=CC2=C(OCO2)C=C1)N3CCCC3

InChI

InChIKey=GQIJYUMTOUBHSH-IJIVKGSJSA-N
InChI=1S/C16H17NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h1-2,5-8,11H,3-4,9-10,12H2/b5-1+,6-2+

HIDE SMILES / InChI

Molecular Formula C16H17NO3
Molecular Weight 271.3111
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
GV0493SM38
Record Status Validated (UNII)
Record Version