2-{1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidin-2-yl}pyridine

• ChemBase ID: 380181
• Molecular Formular: C17H24N4
• Molecular Mass: 284.39926
• Monoisotopic Mass: 284.20009679
• SMILES: n1(c(ncc1)C)CCCN1C(c2ncccc2)CCCC1
• Canonical SMILES: Cc1nccn1CCCN1CCCCC1c1ccccn1
• InChI: InChI=1S/C17H24N4/c1-15-18-10-14-20(15)12-6-13-21-11-5-3-8-17(21)16-7-2-4-9-19-16/h2,4,7,9-10,14,17H,3,5-6,8,11-13H2,1H3
• InChIKey: SOAYQLRGXFRBSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidin-2-yl}pyridine
• IUPAC Traditional name: 2-{1-[3-(2-methylimidazol-1-yl)propyl]piperidin-2-yl}pyridine
• Synonyms: 2-{1-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2-piperidinyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3249128
• LogD (pH = 7.4): 0.9715031
• Log P: 1.9307158
• Molar Refractivity: 85.0555 cm^3
• Polarizability: 33.059055 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: 1.46
• LOG S: -0.21
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 5