ChemSpider 2D Image | tert-Butyl 4-((4-(hydroxymethyl)piperidin-1-yl)methyl)benzoate | C18H27NO3

tert-Butyl 4-((4-(hydroxymethyl)piperidin-1-yl)methyl)benzoate

  • Molecular FormulaC18H27NO3
  • Average mass305.412 Da
  • Monoisotopic mass305.199097 Da
  • ChemSpider ID57423155

More details:

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

1401966-70-8 [RN]
2-Methyl-2-propanyl 4-{[4-(hydroxymethyl)-1-piperidinyl]methyl}benzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[4-(hydroxymethyl)-1-piperidinyl]methyl}benzoat [German] [ACD/IUPAC Name]
4-{[4-(Hydroxyméthyl)-1-pipéridinyl]méthyl}benzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-(hydroxymethyl)-1-piperidinyl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 4-((4-(hydroxymethyl)piperidin-1-yl)methyl)benzoate
MFCD28405018
tert-butyl 4-((4-(hydroxymethyl)piperidin-1-yl)methyl)benzoate(wxc01713)
tert-butyl 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
TERT-BUTYL 4-{[4-(HYDROXYMETHYL)PIPERIDIN-1-YL]METHYL}BENZOATE

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 419.5±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.0±3.0 kJ/mol
    Flash Point: 207.5±23.2 °C
    Index of Refraction: 1.534
    Molar Refractivity: 87.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.79
    ACD/LogD (pH 5.5): 0.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.30
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 18.38
    ACD/KOC (pH 7.4): 166.33
    Polar Surface Area: 50 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 41.7±3.0 dyne/cm
    Molar Volume: 281.9±3.0 cm3

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