ChemSpider 2D Image | TERT-BUTYL 4-({[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]OXY}METHYL)PIPERIDINE-1-CARBOXYLATE | C16H25N3O3S

TERT-BUTYL 4-({[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]OXY}METHYL)PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC16H25N3O3S
  • Average mass339.453 Da
  • Monoisotopic mass339.161652 Da
  • ChemSpider ID27457932

More details:

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

1261235-41-9 [RN]
1-Piperidinecarboxylic acid, 4-[[[2-(methylthio)-4-pyrimidinyl]oxy]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-({[2-(methylsulfanyl)-4-pyrimidinyl]oxy}methyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-({[2-(methylsulfanyl)-4-pyrimidinyl]oxy}methyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-({[2-(Méthylsulfanyl)-4-pyrimidinyl]oxy}méthyl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 4-({[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]OXY}METHYL)PIPERIDINE-1-CARBOXYLATE
4-(2-METHYLSULFANYL PYRIMIDIN-4-YLOXYMETHYL)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(2-methylsulfanylpyrimidin-4-yloxymethyl)piperidine-1-carboxylic acid tert-butyl ester
4-(2-methylsulfanyl-pyrimidin-4-yloxymethyl)piperidine-1-carboxylic acid tert-butyl ester
4-(2-Methylsulfanyl-pyrimidin-4-yloxymethyl)-piperidine-1-carboxylic acid tert-butyl ester
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 466.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.0±20.4 °C
Index of Refraction: 1.557
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 156.06
ACD/KOC (pH 5.5): 1292.64
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.18
ACD/KOC (pH 7.4): 1293.61
Polar Surface Area: 90 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 283.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement