U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H23N3
Molecular Weight 305.4167
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Benzyl-4-(m-toluidino)piperidine-4-carbonitrile

SMILES

CC1=CC(NC2(CCN(CC3=CC=CC=C3)CC2)C#N)=CC=C1

InChI

InChIKey=VRQNYTJDMMMAQU-UHFFFAOYSA-N
InChI=1S/C20H23N3/c1-17-6-5-9-19(14-17)22-20(16-21)10-12-23(13-11-20)15-18-7-3-2-4-8-18/h2-9,14,22H,10-13,15H2,1H3

HIDE SMILES / InChI

Molecular Formula C20H23N3
Molecular Weight 305.4167
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:03:46 GMT 2023
Edited
by admin
on Sat Dec 16 12:03:46 GMT 2023
Record UNII
ECA9AXT7HX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Benzyl-4-(m-toluidino)piperidine-4-carbonitrile
Systematic Name English
4-[(3-Methylphenyl)amino]-1-(phenylmethyl)-4-piperidinecarbonitrile
Systematic Name English
4-Piperidinecarbonitrile, 4-[(3-methylphenyl)amino]-1-(phenylmethyl)-
Systematic Name English
NSC-73009
Code English
Code System Code Type Description
NSC
73009
Created by admin on Sat Dec 16 12:03:46 GMT 2023 , Edited by admin on Sat Dec 16 12:03:46 GMT 2023
PRIMARY
CAS
972-18-9
Created by admin on Sat Dec 16 12:03:46 GMT 2023 , Edited by admin on Sat Dec 16 12:03:46 GMT 2023
PRIMARY
PUBCHEM
70416
Created by admin on Sat Dec 16 12:03:46 GMT 2023 , Edited by admin on Sat Dec 16 12:03:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID90242770
Created by admin on Sat Dec 16 12:03:46 GMT 2023 , Edited by admin on Sat Dec 16 12:03:46 GMT 2023
PRIMARY
ECHA (EC/EINECS)
213-543-5
Created by admin on Sat Dec 16 12:03:46 GMT 2023 , Edited by admin on Sat Dec 16 12:03:46 GMT 2023
PRIMARY
FDA UNII
ECA9AXT7HX
Created by admin on Sat Dec 16 12:03:46 GMT 2023 , Edited by admin on Sat Dec 16 12:03:46 GMT 2023
PRIMARY