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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16F3N3O2
Molecular Weight 303.2802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methyl-4-(4-nitro-2-trifluoromethyl-benzyl)-piperazine

SMILES

CN1CCN(CC2=CC=C(C=C2C(F)(F)F)[N+]([O-])=O)CC1

InChI

InChIKey=LIHFIIDGPWSVCX-UHFFFAOYSA-N
InChI=1S/C13H16F3N3O2/c1-17-4-6-18(7-5-17)9-10-2-3-11(19(20)21)8-12(10)13(14,15)16/h2-3,8H,4-7,9H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-Methyl-4-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]piperazine
Preferred Name English
1-Methyl-4-(4-nitro-2-trifluoromethyl-benzyl)-piperazine
Systematic Name English
Piperazine, 1-methyl-4-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
WBE32EM8SQ
Created by admin on Wed Apr 02 10:49:47 GMT 2025 , Edited by admin on Wed Apr 02 10:49:47 GMT 2025
PRIMARY
PUBCHEM
46838906
Created by admin on Wed Apr 02 10:49:47 GMT 2025 , Edited by admin on Wed Apr 02 10:49:47 GMT 2025
PRIMARY
CAS
694499-24-6
Created by admin on Wed Apr 02 10:49:47 GMT 2025 , Edited by admin on Wed Apr 02 10:49:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID00676603
Created by admin on Wed Apr 02 10:49:47 GMT 2025 , Edited by admin on Wed Apr 02 10:49:47 GMT 2025
PRIMARY
NIH
NCATS
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