3-benzyl-1-phenylpiperazine

• ChemBase ID: 811151
• Molecular Formular: C17H20N2
• Molecular Mass: 252.3541
• Monoisotopic Mass: 252.16264865
• SMILES: C1C(NCCN1c1ccccc1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CC1NCCN(C1)c1ccccc1
• InChI: InChI=1S/C17H20N2/c1-3-7-15(8-4-1)13-16-14-19(12-11-18-16)17-9-5-2-6-10-17/h1-10,16,18H,11-14H2
• InChIKey: WYALVWYXZVGLQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-1-phenylpiperazine
• IUPAC Traditional name: 3-benzyl-1-phenylpiperazine
• Synonyms: 3-BENZYL-1-PHENYL-PIPERAZINE

Database IDs

• CAS Number: 885275-37-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5669693
• LogD (pH = 7.4): 2.0171323
• Log P: 3.6182628
• Molar Refractivity: 80.2798 cm^3
• Polarizability: 31.063559 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%