ChemSpider 2D Image | 1-(6-Chloro-pyridin-3-yl)-3-(4-Boc-piperazin-1-yl)-butan-1-one | C18H26ClN3O3

1-(6-Chloro-pyridin-3-yl)-3-(4-Boc-piperazin-1-yl)-butan-1-one

  • Molecular FormulaC18H26ClN3O3
  • Average mass367.870 Da
  • Monoisotopic mass367.166260 Da
  • ChemSpider ID21373800

More details:

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

1-(6-Chloro-pyridin-3-yl)-3-(4-Boc-piperazin-1-yl)-butan-1-one
1,1-Dimethylethyl 4-[3-(6-chloro-3-pyridinyl)-1-methyl-3-oxopropyl]-1-piperazinecarboxylate
1-Piperazinecarboxylic acid, 4-[3-(6-chloro-3-pyridinyl)-1-methyl-3-oxopropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[4-(6-chloro-3-pyridinyl)-4-oxo-2-butanyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[4-(6-chlor-3-pyridinyl)-4-oxo-2-butanyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[4-(6-Chloro-3-pyridinyl)-4-oxo-2-butanyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
886365-70-4 [RN]
tert-Butyl 4-(4-(6-chloropyridin-3-yl)-4-oxobutan-2-yl)piperazine-1-carboxylate
tert-Butyl 4-[4-(6-chloropyridin-3-yl)-4-oxobutan-2-yl]piperazine-1-carboxylate
1-(6-chloro-(pyridin-3-yl))-3-(4-boc-piperazin-1-yl)butan-1-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 494.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 252.7±28.7 °C
Index of Refraction: 1.539
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 9.94
ACD/KOC (pH 5.5): 111.41
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.06
ACD/KOC (pH 7.4): 572.24
Polar Surface Area: 63 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 309.0±3.0 cm3

Click to predict properties on the Chemicalize site


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