2-methoxy-5-{[3-(methoxymethyl)piperidin-1-yl]methyl}pyridine

• ChemBase ID: 865766
• Molecular Formular: C14H22N2O2
• Molecular Mass: 250.33668
• Monoisotopic Mass: 250.16812795
• SMILES: N1(Cc2cnc(cc2)OC)CC(COC)CCC1
• Canonical SMILES: COCC1CCCN(C1)Cc1ccc(nc1)OC
• InChI: InChI=1S/C14H22N2O2/c1-17-11-13-4-3-7-16(10-13)9-12-5-6-14(18-2)15-8-12/h5-6,8,13H,3-4,7,9-11H2,1-2H3
• InChIKey: RUWVSHSXRSIVJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-{[3-(methoxymethyl)piperidin-1-yl]methyl}pyridine
• IUPAC Traditional name: 2-methoxy-5-{[3-(methoxymethyl)piperidin-1-yl]methyl}pyridine
• Synonyms: 2-methoxy-5-{[3-(methoxymethyl)piperidin-1-yl]methyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2661777
• LogD (pH = 7.4): 0.48750708
• Log P: 1.5971
• Molar Refractivity: 72.4152 cm^3
• Polarizability: 28.168058 Å^3
• Polar Surface Area: 34.59 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: -1.11
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 5