ChemSpider 2D Image | TERT-BUTYL 2-{[(4-METHYLPYRIMIDIN-2-YL)AMINO]METHYL}PIPERIDINE-1-CARBOXYLATE | C16H26N4O2

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

  • Molecular FormulaC16H26N4O2
  • Average mass306.403 Da
  • Monoisotopic mass306.205566 Da
  • ChemSpider ID27457863

More details:

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

1261235-22-6 [RN]
1-Piperidinecarboxylic acid, 2-[[(4-methyl-2-pyrimidinyl)amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-{[(4-Méthyl-2-pyrimidinyl)amino]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-{[(4-methyl-2-pyrimidinyl)amino]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-{[(4-methyl-2-pyrimidinyl)amino]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
TERT-BUTYL 2-{[(4-METHYLPYRIMIDIN-2-YL)AMINO]METHYL}PIPERIDINE-1-CARBOXYLATE
2-[(4-methyl-pyrimidin-2-ylamino)-methyl ]-piperidine-1-carboxylic acid tert-butyl ester
2-[(4-methylpyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester
2-[(4-methylpyrimidin-2-ylamino)-methyl]piperidine-1-carboxylic acid tert-butyl ester
2-[(4-Methyl-pyrimidin-2-ylamino)-methyl]-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: 1.1±0.1 g/cm3
Boiling Point: 445.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.3±26.5 °C
Index of Refraction: 1.547
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 122.26
ACD/KOC (pH 5.5): 1055.11
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 134.97
ACD/KOC (pH 7.4): 1164.87
Polar Surface Area: 67 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 272.3±3.0 cm3

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