ChemSpider 2D Image | 2-Methyl-2-propanyl 4-({1-[2-(methylamino)-4-pyrimidinyl]-4-piperidinyl}acetyl)-1-piperazinecarboxylate | C21H34N6O3

2-Methyl-2-propanyl 4-({1-[2-(methylamino)-4-pyrimidinyl]-4-piperidinyl}acetyl)-1-piperazinecarboxylate

  • Molecular FormulaC21H34N6O3
  • Average mass418.533 Da
  • Monoisotopic mass418.269226 Da
  • ChemSpider ID29096949

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[1-[2-(methylamino)-4-pyrimidinyl]-4-piperidinyl]acetyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({1-[2-(methylamino)-4-pyrimidinyl]-4-piperidinyl}acetyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({1-[2-(methylamino)-4-pyrimidinyl]-4-piperidinyl}acetyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(2-{1-[2-(Méthylamino)-4-pyrimidinyl]-4-pipéridinyl}acétyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 4-(2-{1-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PIPERIDIN-4-YL}ACETYL)PIPERAZINE-1-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 614.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.6±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 3.33
ACD/KOC (pH 7.4): 37.71
Polar Surface Area: 91 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 350.6±3.0 cm3

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