1-[2,4-bis(trifluoromethyl)phenyl]piperazine

C12H12F6N2 — CID 86600709

IUPAC1-[2,4-bis(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F6N2/c13-11(14,15)8-1-2-10(9(7-8)12(16,17)18)20-5-3-19-4-6-20/h1-2,7,19H,3-6H2
InChIKeyJLNKMINEGDINHS-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.13
Rot. Bonds1

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

1-[2,4-bis(trifluoromethyl)phenyl]piperazine (PubChem CID 86600709) has the molecular formula C12H12F6N2 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-[2,4-bis(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2,4-bis(trifluoromethyl)phenyl]piperazine
PubChem CID86600709
Molecular FormulaC12H12F6N2
Molecular Weight298.23 g/mol
Exact Mass298.09
IUPAC Name1-[2,4-bis(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C12H12F6N2/c13-11(14,15)8-1-2-10(9(7-8)12(16,17)18)20-5-3-19-4-6-20/h1-2,7,19H,3-6H2
InChIKeyJLNKMINEGDINHS-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2,4-bis(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

Related Compounds

1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 130454922
1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
CID 21363835
4-piperazin-1-yl-3-(trifluoromethyl)aniline;hydrochloride
CID 71539599
1-[2-[2,4-bis(trifluoromethyl)phenyl]sulfanylphenyl]piperazine
CID 177359911
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine
CID 115051073
1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 58412701
1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride
CID 69163017
3-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]propanal
CID 175997049
1-[3-(trifluoromethyl)-4-pyridinyl]piperazine;trihydrochloride
CID 86593827
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[2,4-bis(trifluoromethyl)phenyl]piperazine (CID 86600709) is 1-[2,4-bis(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2,4-bis(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[2,4-bis(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1ccc(N2CCNCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[2,4-bis(trifluoromethyl)phenyl]piperazine?
The InChIKey is JLNKMINEGDINHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N2/c13-11(14,15)8-1-2-10(9(7-8)12(16,17)18)20-5-3-19-4-6-20/h1-2,7,19H,3-6H2.
What are the key properties of 1-[2,4-bis(trifluoromethyl)phenyl]piperazine?
1-[2,4-bis(trifluoromethyl)phenyl]piperazine has a molecular weight of 298.23 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 86600709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).