ChemSpider 2D Image | tert-Butyl 4-((5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate | C17H26N4O3

tert-Butyl 4-((5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate

  • Molecular FormulaC17H26N4O3
  • Average mass334.413 Da
  • Monoisotopic mass334.200500 Da
  • ChemSpider ID28536640

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1001201-61-1 [RN]
1-Piperazinecarboxylic acid, 4-[(5R,7S)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopenta[d]pyrimidin-4-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[(5R,7S)-7-Hydroxy-5-méthyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-((5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate
[1001201-61-1] [RN]
MFCD22376578 [MDL number]
tert-Butyl 4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxylate
TERT-BUTYL-4-((5R,7S)-7-HYDROXY-5-METHYL-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 496.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.2±28.7 °C
Index of Refraction: 1.571
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.17
ACD/KOC (pH 5.5): 65.78
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.09
ACD/KOC (pH 7.4): 126.49
Polar Surface Area: 79 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 272.5±3.0 cm3

Click to predict properties on the Chemicalize site


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