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Details

Stereochemistry ACHIRAL
Molecular Formula C21H24ClNO3.ClH
Molecular Weight 410.334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-chlorophenyl)-1-[2-(2-methyl-2H-1,3-benzodioxol-2-yl)ethyl]piperidin-4-ol hydrochloride

SMILES

Cl.CC3(CCN1CCC(O)(CC1)C2=CC=C(Cl)C=C2)OC4=CC=CC=C4O3

InChI

InChIKey=VOUSTVWCTGNPPU-UHFFFAOYSA-N
InChI=1S/C21H24ClNO3.ClH/c1-20(25-18-4-2-3-5-19(18)26-20)10-13-23-14-11-21(24,12-15-23)16-6-8-17(22)9-7-16;/h2-9,24H,10-15H2,1H3;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 C21H24ClNO3
Molecular Weight 373.873
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 19:31:51 GMT 2025
Edited
by admin
on Tue Apr 01 19:31:51 GMT 2025
Record UNII
P4FK97WE2K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-303863
Preferred Name English
4-(4-chlorophenyl)-1-[2-(2-methyl-2H-1,3-benzodioxol-2-yl)ethyl]piperidin-4-ol hydrochloride
Systematic Name English
4-PIPERIDINOL, 4-(P-CHLOROPHENYL)-1-(2-(2-METHYL-1,3-BENZODIOXOL-2-YL)ETHYL)-, HYDROCHLORIDE
Systematic Name English
4-Piperidinol, 4-(4-chlorophenyl)-1-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
P4FK97WE2K
Created by admin on Tue Apr 01 19:31:51 GMT 2025 , Edited by admin on Tue Apr 01 19:31:51 GMT 2025
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EPA CompTox
DTXSID60200509
Created by admin on Tue Apr 01 19:31:51 GMT 2025 , Edited by admin on Tue Apr 01 19:31:51 GMT 2025
PRIMARY
PUBCHEM
3040593
Created by admin on Tue Apr 01 19:31:51 GMT 2025 , Edited by admin on Tue Apr 01 19:31:51 GMT 2025
PRIMARY
CAS
52502-60-0
Created by admin on Tue Apr 01 19:31:51 GMT 2025 , Edited by admin on Tue Apr 01 19:31:51 GMT 2025
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NSC
303863
Created by admin on Tue Apr 01 19:31:51 GMT 2025 , Edited by admin on Tue Apr 01 19:31:51 GMT 2025
PRIMARY