ChemSpider 2D Image | [1-(1-Benzothiophen-2-ylmethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinyl]methanol | C21H29NO2S

[1-(1-Benzothiophen-2-ylmethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinyl]methanol

  • Molecular FormulaC21H29NO2S
  • Average mass359.526 Da
  • Monoisotopic mass359.191895 Da
  • ChemSpider ID22522318

More details:






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

[1-(1-Benzothiophen-2-ylmethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinyl]methanol [ACD/IUPAC Name]
[1-(1-Benzothiophen-2-ylmethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinyl]methanol [German] [ACD/IUPAC Name]
[1-(1-Benzothiophén-2-ylméthyl)-4-(tétrahydro-2H-pyran-2-ylméthyl)-4-pipéridinyl]méthanol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-(benzo[b]thien-2-ylmethyl)-4-[(tetrahydro-2H-pyran-2-yl)methyl]- [ACD/Index Name]
[1-(1-benzothien-2-ylmethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinyl]methanol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 506.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 260.1±23.2 °C
Index of Refraction: 1.602
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 11.93
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 116.10
ACD/KOC (pH 7.4): 577.24
Polar Surface Area: 61 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 307.5±3.0 cm3

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