2-(3,5-dimethoxyphenyl)-5-[3-(methoxymethyl)piperidine-1-carbonyl]pyridine

• ChemBase ID: 321688
• Molecular Formular: C21H26N2O4
• Molecular Mass: 370.44214
• Monoisotopic Mass: 370.18925732
• SMILES: N1(C(=O)c2cnc(c3cc(cc(c3)OC)OC)cc2)CC(COC)CCC1
• Canonical SMILES: COCC1CCCN(C1)C(=O)c1ccc(nc1)c1cc(OC)cc(c1)OC
• InChI: InChI=1S/C21H26N2O4/c1-25-14-15-5-4-8-23(13-15)21(24)16-6-7-20(22-12-16)17-9-18(26-2)11-19(10-17)27-3/h6-7,9-12,15H,4-5,8,13-14H2,1-3H3
• InChIKey: VYRGQHSUTSLAPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,5-dimethoxyphenyl)-5-[3-(methoxymethyl)piperidine-1-carbonyl]pyridine
• IUPAC Traditional name: 2-(3,5-dimethoxyphenyl)-5-[3-(methoxymethyl)piperidine-1-carbonyl]pyridine
• Synonyms: 2-(3,5-dimethoxyphenyl)-5-{[3-(methoxymethyl)piperidin-1-yl]carbonyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2337637
• LogD (pH = 7.4): 2.2346315
• Log P: 2.2346425
• Molar Refractivity: 103.6582 cm^3
• Polarizability: 41.101017 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.9
• LOG S: -2.67
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 6