2-[1-({2-phenylimidazo[1,2-a]pyridin-3-yl}methyl)piperidin-3-yl]ethan-1-amine

• ChemBase ID: 775593
• Molecular Formular: C21H26N4
• Molecular Mass: 334.45794
• Monoisotopic Mass: 334.21574685
• SMILES: c1(n2c(nc1c1ccccc1)cccc2)CN1CC(CCC1)CCN
• Canonical SMILES: NCCC1CCCN(C1)Cc1c(nc2n1cccc2)c1ccccc1
• InChI: InChI=1S/C21H26N4/c22-12-11-17-7-6-13-24(15-17)16-19-21(18-8-2-1-3-9-18)23-20-10-4-5-14-25(19)20/h1-5,8-10,14,17H,6-7,11-13,15-16,22H2
• InChIKey: ZGWYVQWRGBFPLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-({2-phenylimidazo[1,2-a]pyridin-3-yl}methyl)piperidin-3-yl]ethan-1-amine
• IUPAC Traditional name: 2-[1-({2-phenylimidazo[1,2-a]pyridin-3-yl}methyl)piperidin-3-yl]ethanamine
• Synonyms: (2-{1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl}ethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7103262
• LogD (pH = 7.4): -1.9705719
• Log P: 2.7703702
• Molar Refractivity: 103.9216 cm^3
• Polarizability: 41.398907 Å^3
• Polar Surface Area: 46.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.94
• LOG S: -3.14
• Polar Surface Area: 46.56 Å^2
• Rotatable Bonds: 5