3-benzyl-1-phenylpiperazine hydrochloride

• ChemBase ID: 811152
• Molecular Formular: C17H21ClN2
• Molecular Mass: 288.81504
• Monoisotopic Mass: 288.13932636
• SMILES: Cl.C1(CN(CCN1)c1ccccc1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CC1NCCN(C1)c1ccccc1.Cl
• InChI: InChI=1S/C17H20N2.ClH/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;1H
• InChIKey: CNRRBVNQBXYWBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-benzyl-1-phenylpiperazine hydrochloride
• IUPAC Traditional name: 3-benzyl-1-phenylpiperazine hydrochloride
• Synonyms: 2-BENZYL-4-PHENYL-PIPERAZINE HCL

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%