1-[(2-{furo[3,2-c]pyridin-4-yloxy}phenyl)methyl]piperidine

• ChemBase ID: 550336
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: c1(c2c(occ2)ccn1)Oc1c(CN2CCCCC2)cccc1
• Canonical SMILES: C1CCN(CC1)Cc1ccccc1Oc1nccc2c1cco2
• InChI: InChI=1S/C19H20N2O2/c1-4-11-21(12-5-1)14-15-6-2-3-7-17(15)23-19-16-9-13-22-18(16)8-10-20-19/h2-3,6-10,13H,1,4-5,11-12,14H2
• InChIKey: RDFDKJPIIJOVFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-{furo[3,2-c]pyridin-4-yloxy}phenyl)methyl]piperidine
• IUPAC Traditional name: 1-[(2-{furo[3,2-c]pyridin-4-yloxy}phenyl)methyl]piperidine
• Synonyms: 4-[2-(piperidin-1-ylmethyl)phenoxy]furo[3,2-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.92725426
• LogD (pH = 7.4): 2.6788054
• Log P: 3.8012044
• Molar Refractivity: 89.9812 cm^3
• Polarizability: 36.022255 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.38
• LOG S: -3.33
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4