N-methyl-N-[(3-methylpyridin-2-yl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine

• ChemBase ID: 549429
• Molecular Formular: C19H26N4
• Molecular Mass: 310.43654
• Monoisotopic Mass: 310.21574685
• SMILES: N1(Cc2cnccc2)CCC(N(Cc2ncccc2C)C)CC1
• Canonical SMILES: CN(C1CCN(CC1)Cc1cccnc1)Cc1ncccc1C
• InChI: InChI=1S/C19H26N4/c1-16-5-3-10-21-19(16)15-22(2)18-7-11-23(12-8-18)14-17-6-4-9-20-13-17/h3-6,9-10,13,18H,7-8,11-12,14-15H2,1-2H3
• InChIKey: YOCBABNUVLITMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(3-methylpyridin-2-yl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-methyl-N-[(3-methylpyridin-2-yl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine
• Synonyms: N-methyl-N-[(3-methylpyridin-2-yl)methyl]-1-(pyridin-3-ylmethyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.1574976
• LogD (pH = 7.4): 0.35858855
• Log P: 1.8254702
• Molar Refractivity: 94.8696 cm^3
• Polarizability: 36.975292 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.28
• LOG S: -0.25
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5