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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22FNO
Molecular Weight 299.3825
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ((3S,4R)-1-BENZYL-4-(4-FLUOROPHENYL)PIPERIDIN-3-YL)METHANOL

SMILES

OC[C@@H]1CN(CC2=CC=CC=C2)CC[C@H]1C3=CC=C(F)C=C3

InChI

InChIKey=AELJBFRPEBTCSA-HKUYNNGSSA-N
InChI=1S/C19H22FNO/c20-18-8-6-16(7-9-18)19-10-11-21(13-17(19)14-22)12-15-4-2-1-3-5-15/h1-9,17,19,22H,10-14H2/t17-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H22FNO
Molecular Weight 299.3825
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 18:19:57 GMT 2023
Edited
by admin
on Sat Dec 16 18:19:57 GMT 2023
Record UNII
BCZ79F59E9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
((3S,4R)-1-BENZYL-4-(4-FLUOROPHENYL)PIPERIDIN-3-YL)METHANOL
Systematic Name English
(-)-TRANS-1-BENZYL-3-HYDROXYMETHYL-4-(4-FLUOROPHENYL)PIPERIDINE
Systematic Name English
(-)-(3S,4R)-4-(4-FLUOROPHENYL)-1-(PHENYLMETHYL)-3-PIPERIDINEMETHANOL
Systematic Name English
3-PIPERIDINEMETHANOL, 4-(4-FLUOROPHENYL)-1-(PHENYLMETHYL)-, (3S,4R)-
Systematic Name English
(-)-TRANS-1-BENZYL-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYLPIPERIDINE
Systematic Name English
Code System Code Type Description
CAS
201855-60-9
Created by admin on Sat Dec 16 18:19:57 GMT 2023 , Edited by admin on Sat Dec 16 18:19:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID80446987
Created by admin on Sat Dec 16 18:19:57 GMT 2023 , Edited by admin on Sat Dec 16 18:19:57 GMT 2023
PRIMARY
FDA UNII
BCZ79F59E9
Created by admin on Sat Dec 16 18:19:57 GMT 2023 , Edited by admin on Sat Dec 16 18:19:57 GMT 2023
PRIMARY
PUBCHEM
10881101
Created by admin on Sat Dec 16 18:19:57 GMT 2023 , Edited by admin on Sat Dec 16 18:19:57 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY