(3R,4R)-4-amino-1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-3-ol

• ChemBase ID: 771010
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: n12c(nc(c1)CN1C[C@H]([C@@H](CC1)N)O)ccc(c2)C
• Canonical SMILES: N[C@@H]1CCN(C[C@H]1O)Cc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C14H20N4O/c1-10-2-3-14-16-11(8-18(14)6-10)7-17-5-4-12(15)13(19)9-17/h2-3,6,8,12-13,19H,4-5,7,9,15H2,1H3/t12-,13-/m1/s1
• InChIKey: HQNSSIDKFBSBSM-CHWSQXEVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4R)-4-amino-1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-3-ol
• IUPAC Traditional name: (3R,4R)-4-amino-1-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)piperidin-3-ol
• Synonyms: (3R*,4R*)-4-amino-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.238503
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.1863847
• LogD (pH = 7.4): -2.5519304
• Log P: -0.18327741
• Molar Refractivity: 75.477 cm^3
• Polarizability: 29.037176 Å^3
• Polar Surface Area: 66.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.05
• LOG S: -0.13
• Polar Surface Area: 66.79 Å^2
• Rotatable Bonds: 2