1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine

C12H15F3N2 — CID 21363835

IUPAC1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2/c1-9-2-3-11(10(8-9)12(13,14)15)17-6-4-16-5-7-17/h2-3,8,16H,4-7H2,1H3
InChIKeyQVGZQHBGPGWPHG-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.42
Rot. Bonds1

About 1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine

1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine (PubChem CID 21363835) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
PubChem CID21363835
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
SMILESCc1ccc(N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2/c1-9-2-3-11(10(8-9)12(13,14)15)17-6-4-16-5-7-17/h2-3,8,16H,4-7H2,1H3
InChIKeyQVGZQHBGPGWPHG-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-methyl-2-(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-[4-methyl-2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine (CID 21363835) is 1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine is Cc1ccc(N2CCNCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is QVGZQHBGPGWPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-9-2-3-11(10(8-9)12(13,14)15)17-6-4-16-5-7-17/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine?
1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 244.26 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 21363835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).