(3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C20H21F3N2O — CID 1012371

IUPAC(3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C
InChIInChI=1S/C20H21F3N2O/c1-14-6-7-16(12-15(14)2)19(26)25-10-8-24(9-11-25)18-5-3-4-17(13-18)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3
InChIKeyUHNSQVFXQDOVCY-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.28
Rot. Bonds2

About (3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 1012371) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID1012371
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name(3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C
InChIInChI=1S/C20H21F3N2O/c1-14-6-7-16(12-15(14)2)19(26)25-10-8-24(9-11-25)18-5-3-4-17(13-18)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3
InChIKeyUHNSQVFXQDOVCY-UHFFFAOYSA-N
XLogP4.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone 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 (3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 1012371) is (3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is UHNSQVFXQDOVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c1-14-6-7-16(12-15(14)2)19(26)25-10-8-24(9-11-25)18-5-3-4-17(13-18)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 362.40 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1012371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).