ChemSpider 2D Image | [1-(2-Ethoxyethyl)-3-methyl-1H-pyrazol-5-yl][(3R,4R)-4-ethyl-3,4-dihydroxy-1-piperidinyl]methanone | C16H27N3O4

[1-(2-Ethoxyethyl)-3-methyl-1H-pyrazol-5-yl][(3R,4R)-4-ethyl-3,4-dihydroxy-1-piperidinyl]methanone

  • Molecular FormulaC16H27N3O4
  • Average mass325.403 Da
  • Monoisotopic mass325.200165 Da
  • ChemSpider ID29534824

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[1-(2-Ethoxyethyl)-3-methyl-1H-pyrazol-5-yl][(3R,4R)-4-ethyl-3,4-dihydroxy-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
[1-(2-Ethoxyethyl)-3-methyl-1H-pyrazol-5-yl][(3R,4R)-4-ethyl-3,4-dihydroxy-1-piperidinyl]methanone [ACD/IUPAC Name]
[1-(2-Éthoxyéthyl)-3-méthyl-1H-pyrazol-5-yl][(3R,4R)-4-éthyl-3,4-dihydroxy-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl][(3R,4R)-4-ethyl-3,4-dihydroxy-1-piperidinyl]- [ACD/Index Name]
(3R*,4R*)-1-{[1-(2-ethoxyethyl)-3-methyl-1H-pyrazol-5-yl]carbonyl}-4-ethylpiperidine-3,4-diol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 504.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 258.7±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 86.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.62
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.63
Polar Surface Area: 88 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 260.6±7.0 cm3

Click to predict properties on the Chemicalize site


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