U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22FNO2
Molecular Weight 327.3926
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WMS-2539

SMILES

F[C@H]1CCN[C@@H](C1)[C@H]2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=OLGOYYOHTNZCEO-GBESFXJTSA-N
InChI=1S/C20H22FNO2/c21-17-11-12-22-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22H,11-14H2/t17-,18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H22FNO2
Molecular Weight 327.3926
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 15:39:01 GMT 2025
Edited
by admin
on Wed Apr 02 15:39:01 GMT 2025
Record UNII
G922A8S2QV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,4S)-2-[(4S)-2,2-Diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine
Preferred Name English
WMS-2539
Common Name English
Piperidine, 2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoro-, (2S,4S)-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
WMS-2539
Created by admin on Wed Apr 02 15:39:01 GMT 2025 , Edited by admin on Wed Apr 02 15:39:01 GMT 2025
PRIMARY
FDA UNII
G922A8S2QV
Created by admin on Wed Apr 02 15:39:01 GMT 2025 , Edited by admin on Wed Apr 02 15:39:01 GMT 2025
PRIMARY
PUBCHEM
52941919
Created by admin on Wed Apr 02 15:39:01 GMT 2025 , Edited by admin on Wed Apr 02 15:39:01 GMT 2025
PRIMARY
CAS
1257844-26-0
Created by admin on Wed Apr 02 15:39:01 GMT 2025 , Edited by admin on Wed Apr 02 15:39:01 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
TARGET -> INHIBITOR