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

4-(4-{[3-(Hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl]methyl}phenyl)-2-methyl-3-butyn-2-ol

  • Molecular FormulaC26H33NO2
  • Average mass391.546 Da
  • Monoisotopic mass391.251129 Da
  • ChemSpider ID23047705

More details:

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

3-Piperidinemethanol, 1-[[4-(3-hydroxy-3-methyl-1-butyn-1-yl)phenyl]methyl]-3-(2-phenylethyl)- [ACD/Index Name]
4-(4-{[3-(Hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl]methyl}phenyl)-2-methyl-3-butin-2-ol [German] [ACD/IUPAC Name]
4-(4-{[3-(Hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl]methyl}phenyl)-2-methyl-3-butyn-2-ol [ACD/IUPAC Name]
4-(4-{[3-(Hydroxyméthyl)-3-(2-phényléthyl)-1-pipéridinyl]méthyl}phényl)-2-méthyl-3-butyn-2-ol [French] [ACD/IUPAC Name]
4-(4-{[3-(HYDROXYMETHYL)-3-(2-PHENYLETHYL)PIPERIDIN-1-YL]METHYL}PHENYL)-2-METHYLBUT-3-YN-2-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: 521.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 243.1±27.4 °C
Index of Refraction: 1.609
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 6.44
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 36.33
ACD/KOC (pH 7.4): 170.82
Polar Surface Area: 44 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 344.3±5.0 cm3

Click to predict properties on the Chemicalize site


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