1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C24H23F3N2 — CID 71678345

IUPAC1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C24H23F3N2/c25-24(26,27)21-10-6-11-22(17-21)29-15-13-28(14-16-29)18-20-9-4-5-12-23(20)19-7-2-1-3-8-19/h1-12,17H,13-16,18H2
InChIKeyPDGKPXGEVAKUDP-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.69
Rot. Bonds4

About 1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 71678345) has the molecular formula C24H23F3N2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID71678345
Molecular FormulaC24H23F3N2
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C24H23F3N2/c25-24(26,27)21-10-6-11-22(17-21)29-15-13-28(14-16-29)18-20-9-4-5-12-23(20)19-7-2-1-3-8-19/h1-12,17H,13-16,18H2
InChIKeyPDGKPXGEVAKUDP-UHFFFAOYSA-N
XLogP5.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 71678345) is 1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1.
What is the InChIKey of 1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is PDGKPXGEVAKUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2/c25-24(26,27)21-10-6-11-22(17-21)29-15-13-28(14-16-29)18-20-9-4-5-12-23(20)19-7-2-1-3-8-19/h1-12,17H,13-16,18H2.
What are the key properties of 1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 396.46 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 71678345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).