ChemSpider 2D Image | ethyl 4-[3-[1-[6-(ethylamino)pyrimidin-4-yl]-4-piperidyl]propanoyl]piperazine-1-carboxylate | C21H34N6O3

ethyl 4-[3-[1-[6-(ethylamino)pyrimidin-4-yl]-4-piperidyl]propanoyl]piperazine-1-carboxylate

  • Molecular FormulaC21H34N6O3
  • Average mass418.533 Da
  • Monoisotopic mass418.269226 Da
  • ChemSpider ID29096359

More details:

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

1-Piperazinecarboxylic acid, 4-[3-[1-[6-(ethylamino)-4-pyrimidinyl]-4-piperidinyl]-1-oxopropyl]-, ethyl ester [ACD/Index Name]
4-(3-{1-[6-(Éthylamino)-4-pyrimidinyl]-4-pipéridinyl}propanoyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(3-{1-[6-(ethylamino)-4-pyrimidinyl]-4-piperidinyl}propanoyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
ETHYL 4-(3-{1-[6-(ETHYLAMINO)PYRIMIDIN-4-YL]PIPERIDIN-4-YL}PROPANOYL)PIPERAZINE-1-CARBOXYLATE
Ethyl-4-(3-{1-[6-(ethylamino)-4-pyrimidinyl]-4-piperidinyl}propanoyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 643.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.1±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 12.74
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 50.50
ACD/KOC (pH 7.4): 446.10
Polar Surface Area: 91 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 350.6±3.0 cm3

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