1-methyl-4-[(6-methylpyridin-2-yl)methyl]-2-phenylpiperazine

• ChemBase ID: 552388
• Molecular Formular: C18H23N3
• Molecular Mass: 281.39532
• Monoisotopic Mass: 281.18919775
• SMILES: N1(C(CN(Cc2nc(ccc2)C)CC1)c1ccccc1)C
• Canonical SMILES: Cc1cccc(n1)CN1CCN(C(C1)c1ccccc1)C
• InChI: InChI=1S/C18H23N3/c1-15-7-6-10-17(19-15)13-21-12-11-20(2)18(14-21)16-8-4-3-5-9-16/h3-10,18H,11-14H2,1-2H3
• InChIKey: VTXDCMFQXRPPMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-[(6-methylpyridin-2-yl)methyl]-2-phenylpiperazine
• IUPAC Traditional name: 1-methyl-4-[(6-methylpyridin-2-yl)methyl]-2-phenylpiperazine
• Synonyms: 1-methyl-4-[(6-methylpyridin-2-yl)methyl]-2-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.03472389
• LogD (pH = 7.4): 1.7757235
• Log P: 2.541172
• Molar Refractivity: 86.846 cm^3
• Polarizability: 34.21514 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.49
• LOG S: -0.22
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 3