ChemSpider 2D Image | tert-Butyl 4-((4-cyanopyridin-2-yl)thio)piperidine-1-carboxylate | C16H21N3O2S

tert-Butyl 4-((4-cyanopyridin-2-yl)thio)piperidine-1-carboxylate

  • Molecular FormulaC16H21N3O2S
  • Average mass319.422 Da
  • Monoisotopic mass319.135437 Da
  • ChemSpider ID28539360

More details:

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

1353966-79-6 [RN]
1-Piperidinecarboxylic acid, 4-[(4-cyano-2-pyridinyl)thio]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(4-cyano-2-pyridinyl)sulfanyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(4-cyan-2-pyridinyl)sulfanyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(4-Cyano-2-pyridinyl)sulfanyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-((4-cyanopyridin-2-yl)thio)piperidine-1-carboxylate
4-(4-Cyano-pyridin-2-ylsulfanyl)-pi peridine-1-carboxylic acid tert-but yl ester
4-(4-Cyanopyridin-2-ylsulfanyl)piperidine-1-carboxylic acid tert-butyl ester
4-(4-Cyano-pyridin-2-ylsulfanyl)piperidine-1-carboxylic acid tert-butyl ester
4-(4-Cyano-pyridin-2-ylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester
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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: 451.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.0±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 87.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.86
ACD/KOC (pH 5.5): 1025.22
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.86
ACD/KOC (pH 7.4): 1025.22
Polar Surface Area: 92 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 262.4±5.0 cm3

Click to predict properties on the Chemicalize site


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