2-[(4-phenylphenyl)methyl]piperazine

• ChemBase ID: 808052
• Molecular Formular: C17H20N2
• Molecular Mass: 252.3541
• Monoisotopic Mass: 252.16264865
• SMILES: C1(CNCCN1)Cc1ccc(cc1)c1ccccc1
• Canonical SMILES: N1CCNC(C1)Cc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C17H20N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-17-13-18-10-11-19-17/h1-9,17-19H,10-13H2
• InChIKey: YKZWEWSKQBQGKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-phenylphenyl)methyl]piperazine
• IUPAC Traditional name: 2-[(4-phenylphenyl)methyl]piperazine
• Synonyms: 2-BIPHENYL-4-YLMETHYL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.2761014
• LogD (pH = 7.4): 1.0611312
• Log P: 2.99132
• Molar Refractivity: 79.6228 cm^3
• Polarizability: 32.90928 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%