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

• ChemBase ID: 852070
• Molecular Formular: C13H22N4
• Molecular Mass: 234.34058
• Monoisotopic Mass: 234.18444672
• SMILES: c12C(NCCc2[nH]cn1)(CN1CCCCC1)C
• Canonical SMILES: CC1(NCCc2c1nc[nH]2)CN1CCCCC1
• InChI: InChI=1S/C13H22N4/c1-13(9-17-7-3-2-4-8-17)12-11(5-6-16-13)14-10-15-12/h10,16H,2-9H2,1H3,(H,14,15)
• InChIKey: XMYAYBQTFDETEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.948801
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4649584
• LogD (pH = 7.4): -0.5977404
• Log P: 0.7395175
• Molar Refractivity: 69.6558 cm^3
• Polarizability: 27.073372 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: 0.98
• LOG S: -0.74
• Polar Surface Area: 43.95 Å^2
• Rotatable Bonds: 2