ChemSpider 2D Image | 1-Boc-3-phenyl-4-piperidone | C16H21NO3


  • Molecular FormulaC16H21NO3
  • Average mass275.343 Da
  • Monoisotopic mass275.152130 Da
  • ChemSpider ID23346406

More details:

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

1-Piperidinecarboxylic acid, 4-oxo-3-phenyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-oxo-3-phenyl-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-oxo-3-phenyl-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Oxo-3-phényl-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
632352-56-8 [RN]
tert-Butyl 4-oxo-3-phenylpiperidine-1-carboxylate

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-01997]
    • Safety:

      20/21/22 Novochemy [NC-01997]
      20/21/36/37/39 Novochemy [NC-01997]
      GHS07; GHS09 Novochemy [NC-01997]
      H304; H332 Novochemy [NC-01997]
      IRRITANT Matrix Scientific 053849
      P301+P310; P337+P313 Novochemy [NC-01997]
      R22 Novochemy [NC-01997]
      TBC SynQuest 4H56-1-839
      Warning Novochemy [NC-01997]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 400.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 196.2±28.7 °C
Index of Refraction: 1.532
Molar Refractivity: 76.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.02
ACD/KOC (pH 5.5): 772.62
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.02
ACD/KOC (pH 7.4): 772.62
Polar Surface Area: 47 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 245.4±3.0 cm3

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