1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C26H27F3N2O — CID 58057971

IUPAC1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H27F3N2O/c1-20-10-12-24(13-11-20)32-25(21-6-3-2-4-7-21)19-30-14-16-31(17-15-30)23-9-5-8-22(18-23)26(27,28)29/h2-13,18,25H,14-17,19H2,1H3
InChIKeyGVGOTHNZBXCGIW-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.96
Rot. Bonds6

About 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 58057971) has the molecular formula C26H27F3N2O and a molecular weight of 440.51 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID58057971
Molecular FormulaC26H27F3N2O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H27F3N2O/c1-20-10-12-24(13-11-20)32-25(21-6-3-2-4-7-21)19-30-14-16-31(17-15-30)23-9-5-8-22(18-23)26(27,28)29/h2-13,18,25H,14-17,19H2,1H3
InChIKeyGVGOTHNZBXCGIW-UHFFFAOYSA-N
XLogP5.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 58057971) is 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine is Cc1ccc(OC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is GVGOTHNZBXCGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O/c1-20-10-12-24(13-11-20)32-25(21-6-3-2-4-7-21)19-30-14-16-31(17-15-30)23-9-5-8-22(18-23)26(27,28)29/h2-13,18,25H,14-17,19H2,1H3.
What are the key properties of 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 440.51 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)-2-phenylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 58057971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).