2-methoxyethyl 2-(3-fluorophenyl)piperidine-1-carboxylate

• ChemBase ID: 457666
• Molecular Formular: C15H20FNO3
• Molecular Mass: 281.3226032
• Monoisotopic Mass: 281.14272173
• SMILES: N1(C(=O)OCCOC)C(c2cc(F)ccc2)CCCC1
• Canonical SMILES: COCCOC(=O)N1CCCCC1c1cccc(c1)F
• InChI: InChI=1S/C15H20FNO3/c1-19-9-10-20-15(18)17-8-3-2-7-14(17)12-5-4-6-13(16)11-12/h4-6,11,14H,2-3,7-10H2,1H3
• InChIKey: RQYTXOUCIBHUOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethyl 2-(3-fluorophenyl)piperidine-1-carboxylate
• IUPAC Traditional name: 2-methoxyethyl 2-(3-fluorophenyl)piperidine-1-carboxylate
• Synonyms: 2-methoxyethyl 2-(3-fluorophenyl)-1-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7666876
• LogD (pH = 7.4): 2.7666876
• Log P: 2.7666876
• Molar Refractivity: 73.5676 cm^3
• Polarizability: 28.464123 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.46
• LOG S: -3.35
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5