4-[4-(4-methoxyphenoxy)piperidin-1-yl]pyridine

• ChemBase ID: 848570
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: N1(c2ccncc2)CCC(CC1)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OC1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C17H20N2O2/c1-20-15-2-4-16(5-3-15)21-17-8-12-19(13-9-17)14-6-10-18-11-7-14/h2-7,10-11,17H,8-9,12-13H2,1H3
• InChIKey: SEWYYMGSKNLIID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(4-methoxyphenoxy)piperidin-1-yl]pyridine
• IUPAC Traditional name: 4-[4-(4-methoxyphenoxy)piperidin-1-yl]pyridine
• Synonyms: 4-[4-(4-methoxyphenoxy)-1-piperidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3751134
• LogD (pH = 7.4): 1.5176859
• Log P: 2.3581572
• Molar Refractivity: 82.7771 cm^3
• Polarizability: 31.83134 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.01
• LOG S: -3.85
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 4