ChemSpider 2D Image | 4-(5-{[3-(Hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl]methyl}-2-thienyl)-2-methyl-3-butyn-2-ol | C24H31NO2S

4-(5-{[3-(Hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl]methyl}-2-thienyl)-2-methyl-3-butyn-2-ol

  • Molecular FormulaC24H31NO2S
  • Average mass397.573 Da
  • Monoisotopic mass397.207550 Da
  • ChemSpider ID23055245

More details:

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

3-Piperidinemethanol, 1-[[5-(3-hydroxy-3-methyl-1-butyn-1-yl)-2-thienyl]methyl]-3-(2-phenylethyl)- [ACD/Index Name]
4-(5-{[3-(Hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl]methyl}-2-thienyl)-2-methyl-3-butin-2-ol [German] [ACD/IUPAC Name]
4-(5-{[3-(Hydroxymethyl)-3-(2-phenylethyl)-1-piperidinyl]methyl}-2-thienyl)-2-methyl-3-butyn-2-ol [ACD/IUPAC Name]
4-(5-{[3-(Hydroxyméthyl)-3-(2-phényléthyl)-1-pipéridinyl]méthyl}-2-thiényl)-2-méthyl-3-butyn-2-ol [French] [ACD/IUPAC Name]
4-(5-{[3-(HYDROXYMETHYL)-3-(2-PHENYLETHYL)PIPERIDIN-1-YL]METHYL}THIOPHEN-2-YL)-2-METHYLBUT-3-YN-2-OL

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

Density: 1.2±0.1 g/cm3
Boiling Point: 530.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.6±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 9.65
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 87.12
ACD/KOC (pH 7.4): 443.61
Polar Surface Area: 72 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 334.6±5.0 cm3

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