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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17F3N2O.ClH
Molecular Weight 322.754
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3R,5R,6S)-3-Amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)-2-piperidinone hydrochloride

SMILES

Cl.C[C@H]1[C@H](C[C@@H](N)C(=O)N1CC(F)(F)F)C2=CC=CC=C2

InChI

InChIKey=IXWPEFGFFDTWQC-NUZGNSGISA-N
InChI=1S/C14H17F3N2O.ClH/c1-9-11(10-5-3-2-4-6-10)7-12(18)13(20)19(9)8-14(15,16)17;/h2-6,9,11-12H,7-8,18H2,1H3;1H/t9-,11-,12+;/m0./s1

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 C14H17F3N2O
Molecular Weight 286.2928
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 19:56:29 GMT 2025
Edited
by admin
on Wed Apr 02 19:56:29 GMT 2025
Record UNII
PJD8G243XF
Record Status Validated (UNII)
Record Version
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Name Type Language
(3R,5R,6S)-3-Amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one hydrochloride
Preferred Name English
(3R,5R,6S)-3-Amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)-2-piperidinone hydrochloride
Systematic Name English
2-Piperidinone, 3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)-, hydrochloride (1:1), (3R,5R,6S)-
Systematic Name English
Code System Code Type Description
FDA UNII
PJD8G243XF
Created by admin on Wed Apr 02 19:56:29 GMT 2025 , Edited by admin on Wed Apr 02 19:56:29 GMT 2025
PRIMARY
CAS
3003752-19-7
Created by admin on Wed Apr 02 19:56:29 GMT 2025 , Edited by admin on Wed Apr 02 19:56:29 GMT 2025
PRIMARY
PUBCHEM
170312691
Created by admin on Wed Apr 02 19:56:29 GMT 2025 , Edited by admin on Wed Apr 02 19:56:29 GMT 2025
PRIMARY
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