ChemSpider 2D Image | TERT-BUTYL 3-{[(4-METHYLPYRIMIDIN-2-YL)OXY]METHYL}PIPERIDINE-1-CARBOXYLATE | C16H25N3O3

TERT-BUTYL 3-{[(4-METHYLPYRIMIDIN-2-YL)OXY]METHYL}PIPERIDINE-1-CARBOXYLATE

  • Molecular FormulaC16H25N3O3
  • Average mass307.388 Da
  • Monoisotopic mass307.189606 Da
  • ChemSpider ID27457911

More details:

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

1261230-13-0 [RN]
1-Piperidinecarboxylic acid, 3-[[(4-methyl-2-pyrimidinyl)oxy]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[(4-methyl-2-pyrimidinyl)oxy]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[(4-methyl-2-pyrimidinyl)oxy]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-{[(4-Méthyl-2-pyrimidinyl)oxy]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-{[(4-METHYLPYRIMIDIN-2-YL)OXY]METHYL}PIPERIDINE-1-CARBOXYLATE
3-(4-methylpyrimidin-2-yloxymethyl)piperidine-1-carboxylic acid tert-butyl ester
3-(4-Methyl-pyrimidin-2-yloxymethyl)-piperidine-1-carboxylic acid tert-butyl ester
MFCD18380183
tert-Butyl 3-(((4-methylpyrimidin-2-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: 431.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.6±26.5 °C
Index of Refraction: 1.514
Molar Refractivity: 83.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.64
ACD/KOC (pH 5.5): 569.47
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.66
ACD/KOC (pH 7.4): 569.65
Polar Surface Area: 65 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 276.9±3.0 cm3

Click to predict properties on the Chemicalize site


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