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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 ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:27:48 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:48 GMT 2023
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 (1:1)
Systematic Name English
Piperidine, 4-chloro-1-(phenylmethyl)-, hydrochloride
Common Name English
Code System Code Type Description
PUBCHEM
44147238
Created by admin on Sat Dec 16 12:27:48 GMT 2023 , Edited by admin on Sat Dec 16 12:27:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID30176348
Created by admin on Sat Dec 16 12:27:48 GMT 2023 , Edited by admin on Sat Dec 16 12:27:48 GMT 2023
PRIMARY
CAS
21937-57-5
Created by admin on Sat Dec 16 12:27:48 GMT 2023 , Edited by admin on Sat Dec 16 12:27:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
244-668-3
Created by admin on Sat Dec 16 12:27:48 GMT 2023 , Edited by admin on Sat Dec 16 12:27:48 GMT 2023
PRIMARY
FDA UNII
4Y27BR98D7
Created by admin on Sat Dec 16 12:27:48 GMT 2023 , Edited by admin on Sat Dec 16 12:27:48 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE