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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16ClN.ClH
Molecular Weight 246.176
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Benzyl-4-chloropiperidine hydrochloride

SMILES

Cl.ClC1CCN(CC2=CC=CC=C2)CC1

InChI

InChIKey=OHKKMIMUBHLTNF-UHFFFAOYSA-N
InChI=1S/C12H16ClN.ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;/h1-5,12H,6-10H2;1H

HIDE SMILES / InChI

Molecular Formula C12H16ClN
Molecular Weight 209.715
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Tue Apr 01 19:15:57 GMT 2025
Edited
by admin
on Tue Apr 01 19:15:57 GMT 2025
Record UNII
4Y27BR98D7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Benzyl-4-chloropiperidine hydrochloride
Systematic Name English
Piperidine, 4-chloro-1-(phenylmethyl)-, hydrochloride
Preferred Name English
Piperidine, 4-chloro-1-(phenylmethyl)-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
44147238
Created by admin on Tue Apr 01 19:15:57 GMT 2025 , Edited by admin on Tue Apr 01 19:15:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID30176348
Created by admin on Tue Apr 01 19:15:57 GMT 2025 , Edited by admin on Tue Apr 01 19:15:57 GMT 2025
PRIMARY
CAS
21937-57-5
Created by admin on Tue Apr 01 19:15:57 GMT 2025 , Edited by admin on Tue Apr 01 19:15:57 GMT 2025
PRIMARY
ECHA (EC/EINECS)
244-668-3
Created by admin on Tue Apr 01 19:15:57 GMT 2025 , Edited by admin on Tue Apr 01 19:15:57 GMT 2025
PRIMARY
FDA UNII
4Y27BR98D7
Created by admin on Tue Apr 01 19:15:57 GMT 2025 , Edited by admin on Tue Apr 01 19:15:57 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE