ChemSpider 2D Image | tert-Butyl 4-((pyridin-2-ylmethyl)thio)piperidine-1-carboxylate | C16H24N2O2S

tert-Butyl 4-((pyridin-2-ylmethyl)thio)piperidine-1-carboxylate

  • Molecular FormulaC16H24N2O2S
  • Average mass308.439 Da
  • Monoisotopic mass308.155853 Da
  • ChemSpider ID28304017

More details:

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

1353971-76-2 [RN]
1-Piperidinecarboxylic acid, 4-[(2-pyridinylmethyl)thio]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(2-pyridinylmethyl)sulfanyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(2-pyridinylmethyl)sulfanyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(2-Pyridinylméthyl)sulfanyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-((pyridin-2-ylmethyl)thio)piperidine-1-carboxylate
4-(Pyridin-2-ylmethylsulfanyl)-pipe ridine-1-carboxylic acid tert-butyl ester
4-(Pyridin-2-ylmethylsulfanyl)piperidine-1-carboxylic acid tert-butyl ester
4-(Pyridin-2-ylmethylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester
4-(Pyridin-2-ylmethylsulfanyl)-piperidine-1-carboxylic acid tert-butylester
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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: 422.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 209.0±27.3 °C
Index of Refraction: 1.561
Molar Refractivity: 87.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 121.79
ACD/KOC (pH 5.5): 1052.01
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.57
ACD/KOC (pH 7.4): 1162.34
Polar Surface Area: 68 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 269.2±5.0 cm3

Click to predict properties on the Chemicalize site


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