1-benzyl-3-(trifluoromethyl)piperazine

• ChemBase ID: 801108
• Molecular Formular: C12H15F3N2
• Molecular Mass: 244.2561096
• Monoisotopic Mass: 244.11873315
• SMILES: C1C(NCCN1Cc1ccccc1)C(F)(F)F
• Canonical SMILES: FC(C1NCCN(C1)Cc1ccccc1)(F)F
• InChI: InChI=1S/C12H15F3N2/c13-12(14,15)11-9-17(7-6-16-11)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2
• InChIKey: DEYSRYSDNZTANC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-3-(trifluoromethyl)piperazine
• IUPAC Traditional name: 1-benzyl-3-(trifluoromethyl)piperazine
• Synonyms: 1-BENZYL-3-(TRIFLUOROMETHYL)PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.34163216
• LogD (pH = 7.4): 2.0031755
• Log P: 2.3935776
• Molar Refractivity: 60.4764 cm^3
• Polarizability: 22.883753 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%