ChemSpider 2D Image | 1-{1-[2-(Methylsulfanyl)benzyl]-4-piperidinyl}-2-phenylethanol | C21H27NOS

1-{1-[2-(Methylsulfanyl)benzyl]-4-piperidinyl}-2-phenylethanol

  • Molecular FormulaC21H27NOS
  • Average mass341.510 Da
  • Monoisotopic mass341.181335 Da
  • ChemSpider ID29651671

More details:






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

1-{1-[2-(Methylsulfanyl)benzyl]-4-piperidinyl}-2-phenylethanol [German] [ACD/IUPAC Name]
1-{1-[2-(Methylsulfanyl)benzyl]-4-piperidinyl}-2-phenylethanol [ACD/IUPAC Name]
1-{1-[2-(Méthylsulfanyl)benzyl]-4-pipéridinyl}-2-phényléthanol [French] [ACD/IUPAC Name]
4-Piperidinemethanol, 1-[[2-(methylthio)phenyl]methyl]-α-(phenylmethyl)- [ACD/Index Name]
1-(1-{[2-(METHYLSULFANYL)PHENYL]METHYL}PIPERIDIN-4-YL)-2-PHENYLETHAN-1-OL
1-(1-{[2-(METHYLSULFANYL)PHENYL]METHYL}PIPERIDIN-4-YL)-2-PHENYLETHANOL
1-{1-[2-(methylthio)benzyl]-4-piperidinyl}-2-phenylethanol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 479.0±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.5±24.6 °C
Index of Refraction: 1.621
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 6.25
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 47.51
ACD/KOC (pH 7.4): 287.22
Polar Surface Area: 49 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 297.1±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement