(2S)-1,2-dibenzylpiperazine

• ChemBase ID: 799814
• Molecular Formular: C18H22N2
• Molecular Mass: 266.38068
• Monoisotopic Mass: 266.17829871
• SMILES: [C@@H]1(CNCCN1Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCNC[C@@H]1Cc1ccccc1
• InChI: InChI=1S/C18H22N2/c1-3-7-16(8-4-1)13-18-14-19-11-12-20(18)15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/t18-/m0/s1
• InChIKey: NUGGDPZUASKXAU-SFHVURJKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1,2-dibenzylpiperazine
• IUPAC Traditional name: (2S)-1,2-dibenzylpiperazine
• Synonyms: (S)-1,2-dibenzylpiperazine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.06429402
• LogD (pH = 7.4): 1.2672116
• Log P: 3.4516156
• Molar Refractivity: 84.3939 cm^3
• Polarizability: 33.315105 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%