ChemSpider 2D Image | tert-Butyl 3-(((6-ethoxypyrimidin-4-yl)oxy)methyl)piperidine-1-carboxylate | C17H27N3O4

tert-Butyl 3-(((6-ethoxypyrimidin-4-yl)oxy)methyl)piperidine-1-carboxylate

  • Molecular FormulaC17H27N3O4
  • Average mass337.414 Da
  • Monoisotopic mass337.200165 Da
  • ChemSpider ID28303450

More details:

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

1353954-07-0 [RN]
1-Piperidinecarboxylic acid, 3-[[(6-ethoxy-4-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[(6-ethoxy-4-pyrimidinyl)oxy]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[(6-ethoxy-4-pyrimidinyl)oxy]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-{[(6-Éthoxy-4-pyrimidinyl)oxy]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(((6-ethoxypyrimidin-4-yl)oxy)methyl)piperidine-1-carboxylate
3-(6-Ethoxypyrimidin-4-yloxymethyl)piperidine-1-carboxylic acid tert-butyl ester
3-(6-Ethoxy-pyrimidin-4-yloxymethyl)-piperidine-1-carboxylic acid tert-butyl ester
MFCD21098543 [MDL number]
TERT-BUTYL 3-{[(6-ETHOXYPYRIMIDIN-4-YL)OXY]METHYL}PIPERIDINE-1-CARBOXYLATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 461.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.8±23.2 °C
Index of Refraction: 1.509
Molar Refractivity: 89.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.25
ACD/KOC (pH 5.5): 907.89
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.28
ACD/KOC (pH 7.4): 908.20
Polar Surface Area: 74 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 301.1±3.0 cm3

Click to predict properties on the Chemicalize site


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