ChemSpider 2D Image | tert-butyl 4-[(2E)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate | C15H26N2O3

tert-butyl 4-[(2E)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate

  • Molecular FormulaC15H26N2O3
  • Average mass282.379 Da
  • Monoisotopic mass282.194336 Da
  • ChemSpider ID21801544

  • Double-bond stereo - Double-bond stereo

More details:

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

1,1-Dimethylethyl 4-[(2E)-3-(dimethylamino)-1-oxo-2-propen-1-yl]-1-piperidinecarboxylate
1799799-87-3 [RN]
1-Piperidinecarboxylic acid, 4-[(2E)-3-(dimethylamino)-1-oxo-2-propen-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
28344756 [Beilstein]
T6NTJ AVOX1&1&1 DV1U1N1&1 &&E Form [WLN]
tert-butyl 4-[(2E)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate [ACD/IUPAC Name]
(E)-tert-butyl 4-(3-(dimethylamino)acryloyl)piperidine-1-carboxylate
1-piperidinecarboxylic acid, 4-[(2E)-3-(dimethylamino)-1-oxo-2-propenyl], 1,1-dimethylethyl ester
1-piperidinecarboxylic acid, 4-[(2E)-3-(dimethylamino)-1-oxo-2-propenyl]-, 1,1-dimethylethyl ester
1-Piperidinecarboxylic acid, 4-[3-(dimethylamino)-1-oxo-2-propen-1-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD08898850 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 389.7±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.9±3.0 kJ/mol
    Flash Point: 189.5±26.5 °C
    Index of Refraction: 1.500
    Molar Refractivity: 78.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.79
    ACD/LogD (pH 5.5): 1.76
    ACD/BCF (pH 5.5): 11.19
    ACD/KOC (pH 5.5): 167.35
    ACD/LogD (pH 7.4): 2.00
    ACD/BCF (pH 7.4): 19.34
    ACD/KOC (pH 7.4): 289.28
    Polar Surface Area: 50 Å2
    Polarizability: 31.0±0.5 10-24cm3
    Surface Tension: 39.2±3.0 dyne/cm
    Molar Volume: 266.3±3.0 cm3

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