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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22ClN
Molecular Weight 251.795
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine, (3S,4S)-

SMILES

CCC[C@@H]1CN(C)CC[C@@H]1C2=CC=C(Cl)C=C2

InChI

InChIKey=MWGRXFWGMDSMNI-UKRRQHHQSA-N
InChI=1S/C15H22ClN/c1-3-4-13-11-17(2)10-9-15(13)12-5-7-14(16)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3/t13-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H22ClN
Molecular Weight 251.795
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:19:17 GMT 2023
Edited
by admin
on Sat Dec 16 17:19:17 GMT 2023
Record UNII
PJ74S72YHZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine, (3S,4S)-
Systematic Name English
(3S,4S)-4-(4-Chlorophenyl)-1-methyl-3-propylpiperidine
Systematic Name English
Piperidine, 4-(4-chlorophenyl)-1-methyl-3-propyl-, (3S,4S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9837874
Created by admin on Sat Dec 16 17:19:17 GMT 2023 , Edited by admin on Sat Dec 16 17:19:17 GMT 2023
PRIMARY
CAS
214335-23-6
Created by admin on Sat Dec 16 17:19:17 GMT 2023 , Edited by admin on Sat Dec 16 17:19:17 GMT 2023
PRIMARY
FDA UNII
PJ74S72YHZ
Created by admin on Sat Dec 16 17:19:17 GMT 2023 , Edited by admin on Sat Dec 16 17:19:17 GMT 2023
PRIMARY
WIKIPEDIA
1-Methyl-3-propyl-4-(p-chlorophenyl)piperidine
Created by admin on Sat Dec 16 17:19:17 GMT 2023 , Edited by admin on Sat Dec 16 17:19:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID201207683
Created by admin on Sat Dec 16 17:19:17 GMT 2023 , Edited by admin on Sat Dec 16 17:19:17 GMT 2023
PRIMARY
Related Record Type Details
TRANSPORTER -> INHIBITOR