ethyl 1-(6-methoxypyridin-2-yl)piperidine-4-carboxylate

• ChemBase ID: 235557
• Molecular Formular: C14H20N2O3
• Molecular Mass: 264.3202
• Monoisotopic Mass: 264.14739251
• SMILES: n1c(N2CCC(C(=O)OCC)CC2)cccc1OC
• Canonical SMILES: CCOC(=O)C1CCN(CC1)c1cccc(n1)OC
• InChI: InChI=1S/C14H20N2O3/c1-3-19-14(17)11-7-9-16(10-8-11)12-5-4-6-13(15-12)18-2/h4-6,11H,3,7-10H2,1-2H3
• InChIKey: AHCVPZCJWZIDPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(6-methoxypyridin-2-yl)piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-(6-methoxypyridin-2-yl)piperidine-4-carboxylate
• Synonyms: ethyl 1-(6-methoxypyridin-2-yl)piperidine-4-carboxylate

Database IDs

• MDL Number: MFCD18591928
• PubChem SID: 164291467
• PubChem CID: 63586295

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.437871
• LogD (pH = 7.4): 2.4702446
• Log P: 2.4706738
• Molar Refractivity: 73.3195 cm^3
• Polarizability: 27.876589 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.241

Product Information

• Purity: 95%