1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine

C24H23F3N2 — CID 3939194

IUPAC1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(C(c2ccc(-c3ccccc3)cc2)N2CCNCC2)cc1
InChIInChI=1S/C24H23F3N2/c25-24(26,27)22-12-10-21(11-13-22)23(29-16-14-28-15-17-29)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-13,23,28H,14-17H2
InChIKeyASINPKXKILEQTR-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.37
Rot. Bonds4

About 1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine

1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 3939194) has the molecular formula C24H23F3N2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID3939194
Molecular FormulaC24H23F3N2
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFC(F)(F)c1ccc(C(c2ccc(-c3ccccc3)cc2)N2CCNCC2)cc1
InChIInChI=1S/C24H23F3N2/c25-24(26,27)22-12-10-21(11-13-22)23(29-16-14-28-15-17-29)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-13,23,28H,14-17H2
InChIKeyASINPKXKILEQTR-UHFFFAOYSA-N
XLogP5.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3769891
1-[(R)-thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171273194
1-[(2,6-dimethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3973215
1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536
1-[(S)-[4-(trifluoromethoxy)phenyl]-[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171285826
1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine
CID 5211839
1-[naphthalen-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3321871
1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4646092
1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 4214236
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100
(2R)-2-piperazin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol;hydrochloride
CID 171174833
1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine
CID 171172366

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 3939194) is 1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine is FC(F)(F)c1ccc(C(c2ccc(-c3ccccc3)cc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is ASINPKXKILEQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2/c25-24(26,27)22-12-10-21(11-13-22)23(29-16-14-28-15-17-29)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-13,23,28H,14-17H2.
What are the key properties of 1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 396.46 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)-[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 3939194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).