2-[(3-phenylphenyl)methyl]piperazine

• ChemBase ID: 808049
• Molecular Formular: C17H20N2
• Molecular Mass: 252.3541
• Monoisotopic Mass: 252.16264865
• SMILES: C1(CNCCN1)Cc1cccc(c1)c1ccccc1
• Canonical SMILES: C1CNC(CN1)Cc1cccc(c1)c1ccccc1
• InChI: InChI=1S/C17H20N2/c1-2-6-15(7-3-1)16-8-4-5-14(11-16)12-17-13-18-9-10-19-17/h1-8,11,17-19H,9-10,12-13H2
• InChIKey: SGGPVCZEISEDEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-phenylphenyl)methyl]piperazine
• IUPAC Traditional name: 2-[(3-phenylphenyl)methyl]piperazine
• Synonyms: 2-BIPHENYL-3-YLMETHYL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.27207434
• LogD (pH = 7.4): 1.0693029
• Log P: 2.99132
• Molar Refractivity: 79.6228 cm^3
• Polarizability: 32.910088 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%