1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine

C25H24ClF3N2O — CID 11598483

IUPAC1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
SMILESFC(F)(F)c1ccc(OC(CN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H24ClF3N2O/c26-21-7-4-8-22(17-21)31-15-13-30(14-16-31)18-24(19-5-2-1-3-6-19)32-23-11-9-20(10-12-23)25(27,28)29/h1-12,17,24H,13-16,18H2
InChIKeyRFPLVGGILJMVST-UHFFFAOYSA-N
MW460.93 g/mol
LogP6.30
Rot. Bonds6

About 1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine

1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine (PubChem CID 11598483) has the molecular formula C25H24ClF3N2O and a molecular weight of 460.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
PubChem CID11598483
Molecular FormulaC25H24ClF3N2O
Molecular Weight460.93 g/mol
Exact Mass460.15
IUPAC Name1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
SMILESFC(F)(F)c1ccc(OC(CN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2)cc1
InChIInChI=1S/C25H24ClF3N2O/c26-21-7-4-8-22(17-21)31-15-13-30(14-16-31)18-24(19-5-2-1-3-6-19)32-23-11-9-20(10-12-23)25(27,28)29/h1-12,17,24H,13-16,18H2
InChIKeyRFPLVGGILJMVST-UHFFFAOYSA-N
XLogP6.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.93
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine (CID 11598483) is 1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine is FC(F)(F)c1ccc(OC(CN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine?
The InChIKey is RFPLVGGILJMVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF3N2O/c26-21-7-4-8-22(17-21)31-15-13-30(14-16-31)18-24(19-5-2-1-3-6-19)32-23-11-9-20(10-12-23)25(27,28)29/h1-12,17,24H,13-16,18H2.
What are the key properties of 1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine?
1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine has a molecular weight of 460.93 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine is sourced from PubChem (CID 11598483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).