3-methyl-6-(3-methyl-3-phenylpiperidin-1-yl)pyridazine

• ChemBase ID: 721728
• Molecular Formular: C17H21N3
• Molecular Mass: 267.36874
• Monoisotopic Mass: 267.17354769
• SMILES: N1(c2nnc(cc2)C)CC(c2ccccc2)(CCC1)C
• Canonical SMILES: Cc1ccc(nn1)N1CCCC(C1)(C)c1ccccc1
• InChI: InChI=1S/C17H21N3/c1-14-9-10-16(19-18-14)20-12-6-11-17(2,13-20)15-7-4-3-5-8-15/h3-5,7-10H,6,11-13H2,1-2H3
• InChIKey: LAWKMQVRBMTEAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-6-(3-methyl-3-phenylpiperidin-1-yl)pyridazine
• IUPAC Traditional name: 3-methyl-6-(3-methyl-3-phenylpiperidin-1-yl)pyridazine
• Synonyms: 3-methyl-6-(3-methyl-3-phenylpiperidin-1-yl)pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3035505
• LogD (pH = 7.4): 3.3363836
• Log P: 3.3368187
• Molar Refractivity: 84.2047 cm^3
• Polarizability: 31.301039 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.43
• LOG S: -5.39
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2