(2R)-2-(2-bromophenyl)piperazine

• ChemBase ID: 807791
• Molecular Formular: C10H13BrN2
• Molecular Mass: 241.12762
• Monoisotopic Mass: 240.02621043
• SMILES: [C@H]1(CNCCN1)c1c(cccc1)Br
• Canonical SMILES: Brc1ccccc1[C@@H]1CNCCN1
• InChI: InChI=1S/C10H13BrN2/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2/t10-/m0/s1
• InChIKey: ZDTWPFQUEVKTCT-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-(2-bromophenyl)piperazine
• IUPAC Traditional name: (2R)-2-(2-bromophenyl)piperazine
• Synonyms: (2R)-2-(2-BROMOPHENYL)PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1447425
• LogD (pH = 7.4): 0.42870462
• Log P: 1.824186
• Molar Refractivity: 57.3544 cm^3
• Polarizability: 22.72351 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%