ChemSpider 2D Image | {1-[(5-Isobutyl-1H-pyrazol-3-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl}methanol | C22H33N3O2

{1-[(5-Isobutyl-1H-pyrazol-3-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl}methanol

  • Molecular FormulaC22H33N3O2
  • Average mass371.516 Da
  • Monoisotopic mass371.257263 Da
  • ChemSpider ID22135127

More details:

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

{1-[(5-Isobutyl-1H-pyrazol-3-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl}methanol [ACD/IUPAC Name]
{1-[(5-Isobutyl-1H-pyrazol-3-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl}methanol [German] [ACD/IUPAC Name]
{1-[(5-Isobutyl-1H-pyrazol-3-yl)méthyl]-4-(2-phénoxyéthyl)-4-pipéridinyl}méthanol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]methyl]-4-(2-phenoxyethyl)- [ACD/Index Name]
(1-{[5-(2-METHYLPROPYL)-1H-PYRAZOL-3-YL]METHYL}-4-(2-PHENOXYETHYL)PIPERIDIN-4-YL)METHANOL
[1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 277.1±25.9 °C
Index of Refraction: 1.560
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 3.18
ACD/KOC (pH 5.5): 23.87
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 115.41
ACD/KOC (pH 7.4): 866.96
Polar Surface Area: 61 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 336.5±3.0 cm3

Click to predict properties on the Chemicalize site


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