(2R)-2-{[3-(trifluoromethoxy)phenyl]methyl}piperazine

• ChemBase ID: 807964
• Molecular Formular: C12H15F3N2O
• Molecular Mass: 260.2555096
• Monoisotopic Mass: 260.11364777
• SMILES: [C@H]1(CNCCN1)Cc1cc(ccc1)OC(F)(F)F
• Canonical SMILES: FC(Oc1cccc(c1)C[C@@H]1CNCCN1)(F)F
• InChI: InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-2-9(7-11)6-10-8-16-4-5-17-10/h1-3,7,10,16-17H,4-6,8H2/t10-/m1/s1
• InChIKey: CCBDSVHMAGVPNH-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-{[3-(trifluoromethoxy)phenyl]methyl}piperazine
• IUPAC Traditional name: (2R)-2-{[3-(trifluoromethoxy)phenyl]methyl}piperazine
• Synonyms: (R)-2-(3-TRIFLUOROMETHOXY-BENZYL)-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.4755483
• LogD (pH = 7.4): 0.87909
• Log P: 2.775206
• Molar Refractivity: 57.5569 cm^3
• Polarizability: 23.55829 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%