ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-[methyl(4-methyl-2-pyrimidinyl)amino]-1-piperidinecarboxylate | C16H26N4O2

2-Methyl-2-propanyl (3S)-3-[methyl(4-methyl-2-pyrimidinyl)amino]-1-piperidinecarboxylate

  • Molecular FormulaC16H26N4O2
  • Average mass306.403 Da
  • Monoisotopic mass306.205566 Da
  • ChemSpider ID29298987

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[Méthyl(4-méthyl-2-pyrimidinyl)amino]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 3-[methyl(4-methyl-2-pyrimidinyl)amino]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-[methyl(4-methyl-2-pyrimidinyl)amino]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-[methyl(4-methyl-2-pyrimidinyl)amino]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-tert-butyl 3-(methyl(4-methylpyrimidin-2-yl)amino)piperidine-1-carboxylate
(S)-tert-butyl-3-(methyl(4-methylpyrimidin-2-yl)amino)piperidine-1-carboxylate
1421041-01-1 [RN]
TERT-BUTYL (3S)-3-[METHYL(4-METHYLPYRIMIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 437.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 218.1±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 119.19
ACD/KOC (pH 5.5): 1040.30
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.76
ACD/KOC (pH 7.4): 1132.52
Polar Surface Area: 59 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 270.9±3.0 cm3

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