ChemSpider 2D Image | tert-butyl 4-[(5-fluoro-2-methoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxylate | C18H26FNO4

tert-butyl 4-[(5-fluoro-2-methoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxylate

  • Molecular FormulaC18H26FNO4
  • Average mass339.402 Da
  • Monoisotopic mass339.184601 Da
  • ChemSpider ID57403712

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperidinecarboxylic acid, 4-[(5-fluoro-2-methoxyphenyl)methyl]-4-hydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(5-fluoro-2-methoxybenzyl)-4-hydroxy-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(5-fluor-2-methoxybenzyl)-4-hydroxy-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(5-Fluoro-2-méthoxybenzyl)-4-hydroxy-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
644968-01-4 [RN]
tert-butyl 4-[(5-fluoro-2-methoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxylate
C18H26FNO4
MFCD27954920
tert-Butyl 4-(5-fluoro-2-methoxybenzyl)-4-hydroxypiperidine-1-carboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 438.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.3±3.0 kJ/mol
    Flash Point: 219.0±28.7 °C
    Index of Refraction: 1.532
    Molar Refractivity: 88.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.84
    ACD/LogD (pH 5.5): 3.02
    ACD/BCF (pH 5.5): 116.65
    ACD/KOC (pH 5.5): 1049.76
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 116.65
    ACD/KOC (pH 7.4): 1049.76
    Polar Surface Area: 59 Å2
    Polarizability: 35.2±0.5 10-24cm3
    Surface Tension: 45.0±3.0 dyne/cm
    Molar Volume: 286.6±3.0 cm3

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