(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-2-yl)methanol

• ChemBase ID: 792222
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: c1(C(=O)N2C(CO)CCCC2)cn2c(ncc2)cc1
• Canonical SMILES: OCC1CCCCN1C(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C14H17N3O2/c18-10-12-3-1-2-7-17(12)14(19)11-4-5-13-15-6-8-16(13)9-11/h4-6,8-9,12,18H,1-3,7,10H2
• InChIKey: MEIPXQFRXQWNSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-2-yl)methanol
• IUPAC Traditional name: (1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-2-yl)methanol
• Synonyms: [1-(imidazo[1,2-a]pyridin-6-ylcarbonyl)piperidin-2-yl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.093941
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3490456
• LogD (pH = 7.4): 0.2532377
• Log P: 0.27757305
• Molar Refractivity: 72.9127 cm^3
• Polarizability: 27.076902 Å^3
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.42
• LOG S: -2.04
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 2