1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol

C19H20ClF3N2O — CID 2767046

IUPAC1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClF3N2O/c20-16-6-4-14(5-7-16)18(26)13-24-8-10-25(11-9-24)17-3-1-2-15(12-17)19(21,22)23/h1-7,12,18,26H,8-11,13H2
InChIKeyPXRQAJQMGGXGBO-UHFFFAOYSA-N
MW384.83 g/mol
LogP4.21
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol

1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol (PubChem CID 2767046) has the molecular formula C19H20ClF3N2O and a molecular weight of 384.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
PubChem CID2767046
Molecular FormulaC19H20ClF3N2O
Molecular Weight384.83 g/mol
Exact Mass384.12
IUPAC Name1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClF3N2O/c20-16-6-4-14(5-7-16)18(26)13-24-8-10-25(11-9-24)17-3-1-2-15(12-17)19(21,22)23/h1-7,12,18,26H,8-11,13H2
InChIKeyPXRQAJQMGGXGBO-UHFFFAOYSA-N
XLogP4.21
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol 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-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol (CID 2767046) is 1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol is OC(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The InChIKey is PXRQAJQMGGXGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N2O/c20-16-6-4-14(5-7-16)18(26)13-24-8-10-25(11-9-24)17-3-1-2-15(12-17)19(21,22)23/h1-7,12,18,26H,8-11,13H2.
What are the key properties of 1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol has a molecular weight of 384.83 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2767046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).