ChemSpider 2D Image | (S)-1-Benzyl 3-ethyl piperidine-1,3-dicarboxylate | C16H21NO4

(S)-1-Benzyl 3-ethyl piperidine-1,3-dicarboxylate

  • Molecular FormulaC16H21NO4
  • Average mass291.342 Da
  • Monoisotopic mass291.147064 Da
  • ChemSpider ID21373965

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1,3-Pipéridinedicarboxylate de 1-benzyle et de 3-éthyle [French] [ACD/IUPAC Name]
(S)-1-Benzyl 3-ethyl piperidine-1,3-dicarboxylate
1,3-Piperidinedicarboxylic acid, 3-ethyl 1-(phenylmethyl) ester, (3S)- [ACD/Index Name]
174699-11-7 [RN]
1-Benzyl 3-ethyl (3S)-1,3-piperidinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-3-ethyl-(3S)-1,3-piperidindicarboxylat [German] [ACD/IUPAC Name]
(S)-1-Benzyl3-ethylpiperidine-1,3-dicarboxylate
(S)-1-Cbz-Piperidine-3-carboxylic acid ethyl ester
(S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester
[174699-11-7] [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: 1.2±0.1 g/cm3
    Boiling Point: 403.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.5±3.0 kJ/mol
    Flash Point: 198.0±28.7 °C
    Index of Refraction: 1.534
    Molar Refractivity: 77.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.70
    ACD/LogD (pH 5.5): 2.97
    ACD/BCF (pH 5.5): 106.38
    ACD/KOC (pH 5.5): 982.74
    ACD/LogD (pH 7.4): 2.97
    ACD/BCF (pH 7.4): 106.38
    ACD/KOC (pH 7.4): 982.74
    Polar Surface Area: 56 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 45.8±3.0 dyne/cm
    Molar Volume: 249.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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