1-methyl-4-{[6-(3-methyl-3-phenylpiperidin-1-yl)pyridin-3-yl]methyl}piperazine

• ChemBase ID: 387015
• Molecular Formular: C23H32N4
• Molecular Mass: 364.52698
• Monoisotopic Mass: 364.26269704
• SMILES: N1(c2ncc(CN3CCN(CC3)C)cc2)CC(c2ccccc2)(CCC1)C
• Canonical SMILES: CN1CCN(CC1)Cc1ccc(nc1)N1CCCC(C1)(C)c1ccccc1
• InChI: InChI=1S/C23H32N4/c1-23(21-7-4-3-5-8-21)11-6-12-27(19-23)22-10-9-20(17-24-22)18-26-15-13-25(2)14-16-26/h3-5,7-10,17H,6,11-16,18-19H2,1-2H3
• InChIKey: GCOIRNMWTSGUSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-{[6-(3-methyl-3-phenylpiperidin-1-yl)pyridin-3-yl]methyl}piperazine
• IUPAC Traditional name: 1-methyl-4-{[6-(3-methyl-3-phenylpiperidin-1-yl)pyridin-3-yl]methyl}piperazine
• Synonyms: 1-methyl-4-{[6-(3-methyl-3-phenylpiperidin-1-yl)pyridin-3-yl]methyl}piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2799752
• LogD (pH = 7.4): 3.1176443
• Log P: 3.9737349
• Molar Refractivity: 114.3427 cm^3
• Polarizability: 43.824154 Å^3
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.79
• LOG S: -4.31
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 4