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

• ChemBase ID: 783752
• Molecular Formular: C16H22N4O
• Molecular Mass: 286.37208
• Monoisotopic Mass: 286.17936134
• SMILES: c1(C2CN(c3ccncc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)c1ccncc1
• InChI: InChI=1S/C16H22N4O/c1-21-12-11-19-10-8-18-16(19)14-3-2-9-20(13-14)15-4-6-17-7-5-15/h4-8,10,14H,2-3,9,11-13H2,1H3
• InChIKey: CITVPKGPMKDOHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.43593138
• LogD (pH = 7.4): 0.5231783
• Log P: 1.4705222
• Molar Refractivity: 83.3076 cm^3
• Polarizability: 31.508957 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: 0.96
• LOG S: -2.11
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5