1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine

C13H16ClF3N2 — CID 67046003

IUPAC1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine
SMILESCC1CN(c2ccc(C(F)(F)F)c(Cl)c2)CC(C)N1
InChIInChI=1S/C13H16ClF3N2/c1-8-6-19(7-9(2)18-8)10-3-4-11(12(14)5-10)13(15,16)17/h3-5,8-9,18H,6-7H2,1-2H3
InChIKeyHPMHMZDKAXGTJN-UHFFFAOYSA-N
MW292.73 g/mol
LogP3.55
Rot. Bonds1

About 1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine

1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine (PubChem CID 67046003) has the molecular formula C13H16ClF3N2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine
PubChem CID67046003
Molecular FormulaC13H16ClF3N2
Molecular Weight292.73 g/mol
Exact Mass292.10
IUPAC Name1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine
SMILESCC1CN(c2ccc(C(F)(F)F)c(Cl)c2)CC(C)N1
InChIInChI=1S/C13H16ClF3N2/c1-8-6-19(7-9(2)18-8)10-3-4-11(12(14)5-10)13(15,16)17/h3-5,8-9,18H,6-7H2,1-2H3
InChIKeyHPMHMZDKAXGTJN-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine 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-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine (CID 67046003) is 1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine is CC1CN(c2ccc(C(F)(F)F)c(Cl)c2)CC(C)N1.
What is the InChIKey of 1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine?
The InChIKey is HPMHMZDKAXGTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2/c1-8-6-19(7-9(2)18-8)10-3-4-11(12(14)5-10)13(15,16)17/h3-5,8-9,18H,6-7H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine?
1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine has a molecular weight of 292.73 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(trifluoromethyl)phenyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 67046003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).