ChemSpider 2D Image | {1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinyl}methanol | C17H28N2O5S

{1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinyl}methanol

  • Molecular FormulaC17H28N2O5S
  • Average mass372.480 Da
  • Monoisotopic mass372.171906 Da
  • ChemSpider ID22140402

More details:

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

{1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinyl}methanol [ACD/IUPAC Name]
{1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinyl}methanol [German] [ACD/IUPAC Name]
{1-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-4-(tétrahydro-2H-pyran-2-ylméthyl)-4-pipéridinyl}méthanol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-[(tetrahydro-2H-pyran-2-yl)methyl]- [ACD/Index Name]
[1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinyl]methanol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.1±60.0 °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: 287.7±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.46
ACD/KOC (pH 5.5): 146.69
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.46
ACD/KOC (pH 7.4): 146.69
Polar Surface Area: 101 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 301.5±3.0 cm3

Click to predict properties on the Chemicalize site


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