ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(2S)-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-piperidinecarboxylate | C16H28N2O4

2-Methyl-2-propanyl 4-[(2S)-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-piperidinecarboxylate

  • Molecular FormulaC16H28N2O4
  • Average mass312.405 Da
  • Monoisotopic mass312.204895 Da
  • ChemSpider ID28426664

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-[(2S)-2-(methoxycarbonyl)-1-pyrrolidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(2S)-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(2S)-2-(methoxycarbonyl)-1-pyrrolidinyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(2S)-2-(Méthoxycarbonyl)-1-pyrrolidinyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-1-N-Boc-4-[2-(methoxycarbonyl)pyrrolidin-1-yl]piperidine
(S)-tert-butyl 4-(2-(methoxycarbonyl)pyrrolidin-1-yl)piperidine-1-carboxylate
864291-82-7 [RN]
MFCD20486735
tert-butyl (S)-4-(2-(methoxycarbonyl)pyrrolidin-1-yl)piperidine-1-carboxylate
TERT-BUTYL 4-[(2S)-2-(METHOXYCARBONYL)PYRROLIDIN-1-YL]PIPERIDINE-1-CARBOXYLATE

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 388.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.7±3.0 kJ/mol
    Flash Point: 188.6±27.9 °C
    Index of Refraction: 1.510
    Molar Refractivity: 82.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.62
    ACD/LogD (pH 5.5): 0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.26
    ACD/LogD (pH 7.4): 1.90
    ACD/BCF (pH 7.4): 12.49
    ACD/KOC (pH 7.4): 154.92
    Polar Surface Area: 59 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 43.4±3.0 dyne/cm
    Molar Volume: 275.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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