6-{3-[benzyl(methyl)amino]piperidin-1-yl}pyridine-3-carbonitrile

• ChemBase ID: 340273
• Molecular Formular: C19H22N4
• Molecular Mass: 306.40478
• Monoisotopic Mass: 306.18444672
• SMILES: N1(c2ncc(C#N)cc2)CC(N(Cc2ccccc2)C)CCC1
• Canonical SMILES: N#Cc1ccc(nc1)N1CCCC(C1)N(Cc1ccccc1)C
• InChI: InChI=1S/C19H22N4/c1-22(14-16-6-3-2-4-7-16)18-8-5-11-23(15-18)19-10-9-17(12-20)13-21-19/h2-4,6-7,9-10,13,18H,5,8,11,14-15H2,1H3
• InChIKey: RBKHAXGINIJAHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{3-[benzyl(methyl)amino]piperidin-1-yl}pyridine-3-carbonitrile
• IUPAC Traditional name: 6-{3-[benzyl(methyl)amino]piperidin-1-yl}pyridine-3-carbonitrile
• Synonyms: 6-{3-[benzyl(methyl)amino]-1-piperidinyl}nicotinonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.21720998
• LogD (pH = 7.4): 1.6805878
• Log P: 3.5228531
• Molar Refractivity: 94.2077 cm^3
• Polarizability: 35.703545 Å^3
• Polar Surface Area: 43.16 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: 3.27
• LOG S: -3.48
• Polar Surface Area: 43.16 Å^2
• Rotatable Bonds: 4