6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine

• ChemBase ID: 576889
• Molecular Formular: C19H26N4
• Molecular Mass: 310.43654
• Monoisotopic Mass: 310.21574685
• SMILES: n1nc(ccc1NC1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: Cc1ccc(nn1)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C19H26N4/c1-16-11-12-19(22-21-16)20-18-10-6-14-23(15-18)13-5-9-17-7-3-2-4-8-17/h2-4,7-8,11-12,18H,5-6,9-10,13-15H2,1H3,(H,20,22)
• InChIKey: CBCLTBMMLAKPPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine
• IUPAC Traditional name: 6-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridazin-3-amine
• Synonyms: 6-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-3-pyridazinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.22347
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.33311722
• LogD (pH = 7.4): 1.2202308
• Log P: 2.9163213
• Molar Refractivity: 98.0621 cm^3
• Polarizability: 36.517853 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.08
• LOG S: -3.09
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 6