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

• ChemBase ID: 383751
• Molecular Formular: C19H28N4O
• Molecular Mass: 328.45182
• Monoisotopic Mass: 328.22631154
• SMILES: n1(c(ncc1)C1CCN(CC1)C(C)C)CC(Oc1cnccc1)C
• Canonical SMILES: CC(Cn1ccnc1C1CCN(CC1)C(C)C)Oc1cccnc1
• InChI: InChI=1S/C19H28N4O/c1-15(2)22-10-6-17(7-11-22)19-21-9-12-23(19)14-16(3)24-18-5-4-8-20-13-18/h4-5,8-9,12-13,15-17H,6-7,10-11,14H2,1-3H3
• InChIKey: SVBOIOGRAQVQBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-{2-[1-(propan-2-yl)piperidin-4-yl]-1H-imidazol-1-yl}propan-2-yl)oxy]pyridine
• IUPAC Traditional name: 3-({1-[2-(1-isopropylpiperidin-4-yl)imidazol-1-yl]propan-2-yl}oxy)pyridine
• Synonyms: 3-{2-[2-(1-isopropylpiperidin-4-yl)-1H-imidazol-1-yl]-1-methylethoxy}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6954163
• LogD (pH = 7.4): 0.44623995
• Log P: 2.3044777
• Molar Refractivity: 96.058 cm^3
• Polarizability: 37.413116 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.55
• LOG S: -2.77
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6