1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine

C18H19F3N2 — CID 7047794

IUPAC1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccccc1[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C18H19F3N2/c19-18(20,21)16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)23-12-10-22-11-13-23/h1-9,17,22H,10-13H2/t17-/m0/s1
InChIKeyWTLBWHFURSVCGL-KRWDZBQOSA-N
MW320.36 g/mol
LogP3.70
Rot. Bonds3

About 1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine

1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 7047794) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID7047794
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccccc1[C@H](c1ccccc1)N1CCNCC1
InChIInChI=1S/C18H19F3N2/c19-18(20,21)16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)23-12-10-22-11-13-23/h1-9,17,22H,10-13H2/t17-/m0/s1
InChIKeyWTLBWHFURSVCGL-KRWDZBQOSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-chloro-3-(trifluoromethyl)phenyl]-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4258911
1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 3275679
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[thiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3815578
1-[(2,3-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 4305876
1-[(1S)-2,2-difluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171291204
1-[(2-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3826485
1-[(1S)-2-fluoro-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171181940
(2S)-2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 171173695
1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170430
1-[(2,5-dimethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 3699847
1-[(2,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 4584564

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine (CID 7047794) is 1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccccc1[C@H](c1ccccc1)N1CCNCC1.
What is the InChIKey of 1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is WTLBWHFURSVCGL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19F3N2/c19-18(20,21)16-9-5-4-8-15(16)17(14-6-2-1-3-7-14)23-12-10-22-11-13-23/h1-9,17,22H,10-13H2/t17-/m0/s1.
What are the key properties of 1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 320.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-phenyl-[2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 7047794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).