1-(2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}propan-2-yl)piperidine

• ChemBase ID: 779730
• Molecular Formular: C14H24N4
• Molecular Mass: 248.36716
• Monoisotopic Mass: 248.20009679
• SMILES: c12C(C(N3CCCCC3)(C)C)NCCc2[nH]cn1
• Canonical SMILES: CC(C1NCCc2c1nc[nH]2)(N1CCCCC1)C
• InChI: InChI=1S/C14H24N4/c1-14(2,18-8-4-3-5-9-18)13-12-11(6-7-15-13)16-10-17-12/h10,13,15H,3-9H2,1-2H3,(H,16,17)
• InChIKey: RCWVWQUIYAILBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}propan-2-yl)piperidine
• IUPAC Traditional name: 1-(2-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}propan-2-yl)piperidine
• Synonyms: 4-(1-methyl-1-piperidin-1-ylethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.982529
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.384463
• LogD (pH = 7.4): -0.5751462
• Log P: 1.0039033
• Molar Refractivity: 73.9995 cm^3
• Polarizability: 28.917467 Å^3
• Polar Surface Area: 43.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.17
• LOG S: -1.01
• Polar Surface Area: 43.95 Å^2
• Rotatable Bonds: 2