ChemSpider 2D Image | 4-(4-{[4-(Hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]methyl}phenyl)-3-butyn-1-ol | C26H33NO2

4-(4-{[4-(Hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]methyl}phenyl)-3-butyn-1-ol

  • Molecular FormulaC26H33NO2
  • Average mass391.546 Da
  • Monoisotopic mass391.251129 Da
  • ChemSpider ID22414903

More details:

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

4-(4-{[4-(Hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]methyl}phenyl)-3-butin-1-ol [German] [ACD/IUPAC Name]
4-(4-{[4-(Hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]methyl}phenyl)-3-butyn-1-ol [ACD/IUPAC Name]
4-(4-{[4-(Hydroxyméthyl)-4-(3-phénylpropyl)-1-pipéridinyl]méthyl}phényl)-3-butyn-1-ol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-[[4-(4-hydroxy-1-butyn-1-yl)phenyl]methyl]-4-(3-phenylpropyl)- [ACD/Index Name]
4-(4-{[4-(HYDROXYMETHYL)-4-(3-PHENYLPROPYL)PIPERIDIN-1-YL]METHYL}PHENYL)BUT-3-YN-1-OL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 552.0±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: 270.6±26.0 °C
Index of Refraction: 1.610
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.56
ACD/KOC (pH 5.5): 7.94
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 64.85
ACD/KOC (pH 7.4): 329.57
Polar Surface Area: 44 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 343.9±5.0 cm3

Click to predict properties on the Chemicalize site


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