(2S)-2-(4-phenylphenyl)piperazine

• ChemBase ID: 807878
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: [C@@H]1(CNCCN1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: C1NC[C@@H](NC1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C16H18N2/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)16-12-17-10-11-18-16/h1-9,16-18H,10-12H2/t16-/m1/s1
• InChIKey: QUINYTMXFWCKTN-MRXNPFEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(4-phenylphenyl)piperazine
• IUPAC Traditional name: (2S)-2-(4-phenylphenyl)piperazine
• Synonyms: (S)-2-BIPHENYL-4-YL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.4101361
• LogD (pH = 7.4): 1.0694817
• Log P: 2.7026587
• Molar Refractivity: 74.8678 cm^3
• Polarizability: 31.144518 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%