2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-4-methylpyridine

• ChemBase ID: 355359
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c1(C2CN(c3nccc(c3)C)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)c1nccc(c1)C
• InChI: InChI=1S/C17H24N4O/c1-14-5-6-18-16(12-14)21-8-3-4-15(13-21)17-19-7-9-20(17)10-11-22-2/h5-7,9,12,15H,3-4,8,10-11,13H2,1-2H3
• InChIKey: SBWAXWKAJPDGSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-4-methylpyridine
• IUPAC Traditional name: 2-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl}-4-methylpyridine
• Synonyms: 2-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}-4-methylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.35579756
• LogD (pH = 7.4): 2.2565792
• Log P: 2.578401
• Molar Refractivity: 88.6623 cm^3
• Polarizability: 33.27624 Å^3
• Polar Surface Area: 43.18 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: 1.49
• LOG S: -2.66
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5