1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C25H30F4N2 — CID 138460245

IUPAC1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1ccc(C(C2CCCCC2)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C25H30F4N2/c26-23-12-8-21(9-13-23)24(20-4-2-1-3-5-20)31-16-14-30(15-17-31)18-19-6-10-22(11-7-19)25(27,28)29/h6-13,20,24H,1-5,14-18H2
InChIKeyUEGIPNVGDDODOQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP6.28
Rot. Bonds5

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

1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 138460245) has the molecular formula C25H30F4N2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID138460245
Molecular FormulaC25H30F4N2
Molecular Weight434.52 g/mol
Exact Mass434.23
IUPAC Name1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1ccc(C(C2CCCCC2)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C25H30F4N2/c26-23-12-8-21(9-13-23)24(20-4-2-1-3-5-20)31-16-14-30(15-17-31)18-19-6-10-22(11-7-19)25(27,28)29/h6-13,20,24H,1-5,14-18H2
InChIKeyUEGIPNVGDDODOQ-UHFFFAOYSA-N
XLogP6.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 138460245) is 1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is Fc1ccc(C(C2CCCCC2)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is UEGIPNVGDDODOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F4N2/c26-23-12-8-21(9-13-23)24(20-4-2-1-3-5-20)31-16-14-30(15-17-31)18-19-6-10-22(11-7-19)25(27,28)29/h6-13,20,24H,1-5,14-18H2.
What are the key properties of 1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 434.52 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 138460245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).