2-ethoxy-5-{[3-(piperidin-1-yl)azetidin-1-yl]methyl}pyridine

• ChemBase ID: 658065
• Molecular Formular: C16H25N3O
• Molecular Mass: 275.3892
• Monoisotopic Mass: 275.19976244
• SMILES: N1(CC(N2CCCCC2)C1)Cc1cnc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cn1)CN1CC(C1)N1CCCCC1
• InChI: InChI=1S/C16H25N3O/c1-2-20-16-7-6-14(10-17-16)11-18-12-15(13-18)19-8-4-3-5-9-19/h6-7,10,15H,2-5,8-9,11-13H2,1H3
• InChIKey: CRAFTJUSUQVVCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-5-{[3-(piperidin-1-yl)azetidin-1-yl]methyl}pyridine
• IUPAC Traditional name: 2-ethoxy-5-{[3-(piperidin-1-yl)azetidin-1-yl]methyl}pyridine
• Synonyms: 2-ethoxy-5-[(3-piperidin-1-ylazetidin-1-yl)methyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.66654664
• LogD (pH = 7.4): 1.0758474
• Log P: 2.247817
• Molar Refractivity: 81.8314 cm^3
• Polarizability: 31.964676 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.49
• LOG S: -1.47
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 5