4-({2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}methyl)pyridine

• ChemBase ID: 857482
• Molecular Formular: C17H24N4
• Molecular Mass: 284.39926
• Monoisotopic Mass: 284.20009679
• SMILES: n1(c(ncc1)C)CCC1N(Cc2ccncc2)CCCC1
• Canonical SMILES: Cc1nccn1CCC1CCCCN1Cc1ccncc1
• InChI: InChI=1S/C17H24N4/c1-15-19-10-13-20(15)12-7-17-4-2-3-11-21(17)14-16-5-8-18-9-6-16/h5-6,8-10,13,17H,2-4,7,11-12,14H2,1H3
• InChIKey: GUSHDGIGDWDXQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}methyl)pyridine
• IUPAC Traditional name: 4-({2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl}methyl)pyridine
• Synonyms: 4-({2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}methyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.2628078
• LogD (pH = 7.4): -0.030037014
• Log P: 1.6970547
• Molar Refractivity: 85.5026 cm^3
• Polarizability: 33.05832 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.17
• LOG S: 0.03
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5