4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]pyridine

• ChemBase ID: 762014
• Molecular Formular: C18H20N2O3
• Molecular Mass: 312.363
• Monoisotopic Mass: 312.14739251
• SMILES: C(=O)(N1CCC(Oc2c(OC)cccc2)CC1)c1ccncc1
• Canonical SMILES: COc1ccccc1OC1CCN(CC1)C(=O)c1ccncc1
• InChI: InChI=1S/C18H20N2O3/c1-22-16-4-2-3-5-17(16)23-15-8-12-20(13-9-15)18(21)14-6-10-19-11-7-14/h2-7,10-11,15H,8-9,12-13H2,1H3
• InChIKey: GMBODIYMOVRZJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]pyridine
• IUPAC Traditional name: 4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]pyridine
• Synonyms: 4-{[4-(2-methoxyphenoxy)-1-piperidinyl]carbonyl}pyridine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0
• Log P: 1.19
• LOG S: -2.49

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5452355
• LogD (pH = 7.4): 1.5480695
• Log P: 1.5481057
• Molar Refractivity: 87.2203 cm^3
• Polarizability: 33.5346 Å^3
• Polar Surface Area: 51.66 Å^2