ChemSpider 2D Image | 4-(4-{[4-(Hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]methyl}phenyl)-2-methyl-3-butyn-2-ol | C27H35NO2

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

  • Molecular FormulaC27H35NO2
  • Average mass405.572 Da
  • Monoisotopic mass405.266785 Da
  • ChemSpider ID22353112

More details:

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

4-(4-{[4-(Hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]methyl}phenyl)-2-methyl-3-butin-2-ol [German] [ACD/IUPAC Name]
4-(4-{[4-(Hydroxymethyl)-4-(3-phenylpropyl)-1-piperidinyl]methyl}phenyl)-2-methyl-3-butyn-2-ol [ACD/IUPAC Name]
4-(4-{[4-(Hydroxyméthyl)-4-(3-phénylpropyl)-1-pipéridinyl]méthyl}phényl)-2-méthyl-3-butyn-2-ol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-[[4-(3-hydroxy-3-methyl-1-butyn-1-yl)phenyl]methyl]-4-(3-phenylpropyl)- [ACD/Index Name]
4-(4-{[4-(HYDROXYMETHYL)-4-(3-PHENYLPROPYL)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: 546.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 258.5±26.0 °C
Index of Refraction: 1.603
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 3.32
ACD/KOC (pH 5.5): 13.21
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 127.56
ACD/KOC (pH 7.4): 508.41
Polar Surface Area: 44 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 360.4±5.0 cm3

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