ChemSpider 2D Image | (3R,5S)-1-Benzyl-3,5-dimethyl-4-piperidinone | C14H19NO

(3R,5S)-1-Benzyl-3,5-dimethyl-4-piperidinone

  • Molecular FormulaC14H19NO
  • Average mass217.307 Da
  • Monoisotopic mass217.146667 Da
  • ChemSpider ID28289980

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-1-Benzyl-3,5-dimethyl-4-piperidinon [German] [ACD/IUPAC Name]
(3R,5S)-1-Benzyl-3,5-dimethyl-4-piperidinone [ACD/IUPAC Name]
(3R,5S)-1-Benzyl-3,5-diméthyl-4-pipéridinone [French] [ACD/IUPAC Name]
(3S,5R)-1-Benzyl-3,5-dimethylpiperidin-4-one
324769-03-1 [RN]
4-Piperidinone, 3,5-dimethyl-1-(phenylmethyl)-, (3R,5S)- [ACD/Index Name]
rel-(3R,5S)-3,5-Dimethyl-1-(phenylmethyl)-4-piperidinone
(3R,5S)-1-benzyl-3,5-dimethylpiperidin-4-one
(3R,5S)-1-benzyl-3,5-dimethyl-piperidin-4-one
[324769-03-1] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 323.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.5±3.0 kJ/mol
    Flash Point: 139.6±11.9 °C
    Index of Refraction: 1.528
    Molar Refractivity: 65.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.17
    ACD/LogD (pH 5.5): 0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.67
    ACD/LogD (pH 7.4): 1.92
    ACD/BCF (pH 7.4): 15.14
    ACD/KOC (pH 7.4): 214.75
    Polar Surface Area: 20 Å2
    Polarizability: 25.9±0.5 10-24cm3
    Surface Tension: 36.6±3.0 dyne/cm
    Molar Volume: 212.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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