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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H14F3NO.ClH
Molecular Weight 281.702
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-Trifluoromethylphenyl)-4-piperidinol hydrochloride

SMILES

Cl.OC1(CCNCC1)C2=CC=CC(=C2)C(F)(F)F

InChI

InChIKey=SBKPKQORDCJPSQ-UHFFFAOYSA-N
InChI=1S/C12H14F3NO.ClH/c13-12(14,15)10-3-1-2-9(8-10)11(17)4-6-16-7-5-11;/h1-3,8,16-17H,4-7H2;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 C12H14F3NO
Molecular Weight 245.2409
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 19:19:19 GMT 2023
Edited
by admin
on Sat Dec 16 19:19:19 GMT 2023
Record UNII
4WG832TXM5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(3-Trifluoromethylphenyl)-4-piperidinol hydrochloride
Systematic Name English
NSC-83235
Code English
4-Piperidinol, 4-(α,α,α-trifluoro-m-tolyl)-, hydrochloride
Common Name English
4-Piperidinol, 4-(3-(trifluoromethyl)phenyl)-, hydrochloride
Systematic Name English
4-Piperidinol, 4-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
1683-49-4
Created by admin on Sat Dec 16 19:19:19 GMT 2023 , Edited by admin on Sat Dec 16 19:19:19 GMT 2023
PRIMARY
FDA UNII
4WG832TXM5
Created by admin on Sat Dec 16 19:19:19 GMT 2023 , Edited by admin on Sat Dec 16 19:19:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID70168545
Created by admin on Sat Dec 16 19:19:19 GMT 2023 , Edited by admin on Sat Dec 16 19:19:19 GMT 2023
PRIMARY
NSC
83235
Created by admin on Sat Dec 16 19:19:19 GMT 2023 , Edited by admin on Sat Dec 16 19:19:19 GMT 2023
PRIMARY
ECHA (EC/EINECS)
216-863-3
Created by admin on Sat Dec 16 19:19:19 GMT 2023 , Edited by admin on Sat Dec 16 19:19:19 GMT 2023
PRIMARY
PUBCHEM
197746
Created by admin on Sat Dec 16 19:19:19 GMT 2023 , Edited by admin on Sat Dec 16 19:19:19 GMT 2023
PRIMARY