ChemSpider 2D Image | 2-(4-Chloro-1H-pyrazol-1-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(4-morpholinylmethyl)-1-piperidinyl]ethanone | C16H25ClN4O3

2-(4-Chloro-1H-pyrazol-1-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(4-morpholinylmethyl)-1-piperidinyl]ethanone

  • Molecular FormulaC16H25ClN4O3
  • Average mass356.848 Da
  • Monoisotopic mass356.161530 Da
  • ChemSpider ID29457789

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(4-Chlor-1H-pyrazol-1-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(4-morpholinylmethyl)-1-piperidinyl]ethanon [German] [ACD/IUPAC Name]
2-(4-Chloro-1H-pyrazol-1-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(4-morpholinylmethyl)-1-piperidinyl]ethanone [ACD/IUPAC Name]
2-(4-Chloro-1H-pyrazol-1-yl)-1-[(3R,5R)-3-(hydroxyméthyl)-5-(4-morpholinylméthyl)-1-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(4-chloro-1H-pyrazol-1-yl)-1-[(3R,5R)-3-(hydroxymethyl)-5-(4-morpholinylmethyl)-1-piperidinyl]- [ACD/Index Name]
[(3R*,5R*)-1-[(4-chloro-1H-pyrazol-1-yl)acetyl]-5-(4-morpholinylmethyl)-3-piperidinyl]methanol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 551.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.5±27.3 °C
Index of Refraction: 1.644
Molar Refractivity: 91.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.92
Polar Surface Area: 71 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 252.1±7.0 cm3

Click to predict properties on the Chemicalize site


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