3-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-2-yl)pyridine

• ChemBase ID: 848712
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c1(n(ccn1)CCOC)CN1C(c2cnccc2)CCCC1
• Canonical SMILES: COCCn1ccnc1CN1CCCCC1c1cccnc1
• InChI: InChI=1S/C17H24N4O/c1-22-12-11-20-10-8-19-17(20)14-21-9-3-2-6-16(21)15-5-4-7-18-13-15/h4-5,7-8,10,13,16H,2-3,6,9,11-12,14H2,1H3
• InChIKey: IOLSGULWEXYQHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-2-yl)pyridine
• IUPAC Traditional name: 3-(1-{[1-(2-methoxyethyl)imidazol-2-yl]methyl}piperidin-2-yl)pyridine
• Synonyms: 3-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-2-yl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.23830509
• LogD (pH = 7.4): 1.3661827
• Log P: 1.4629735
• Molar Refractivity: 87.0906 cm^3
• Polarizability: 33.814537 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.18
• LOG S: -0.09
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6