ChemSpider 2D Image | 1-(4-Benzyl-1-piperidinyl)-3-{1-[(methylsulfanyl)acetyl]-4-piperidinyl}-1-propanone | C23H34N2O2S

1-(4-Benzyl-1-piperidinyl)-3-{1-[(methylsulfanyl)acetyl]-4-piperidinyl}-1-propanone

  • Molecular FormulaC23H34N2O2S
  • Average mass402.593 Da
  • Monoisotopic mass402.234100 Da
  • ChemSpider ID22229710

More details:

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

1-(4-Benzyl-1-piperidinyl)-3-{1-[(methylsulfanyl)acetyl]-4-piperidinyl}-1-propanon [German] [ACD/IUPAC Name]
1-(4-Benzyl-1-piperidinyl)-3-{1-[(methylsulfanyl)acetyl]-4-piperidinyl}-1-propanone [ACD/IUPAC Name]
1-(4-Benzyl-1-pipéridinyl)-3-{1-[2-(méthylsulfanyl)acétyl]-4-pipéridinyl}-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 3-[1-[2-(methylthio)acetyl]-4-piperidinyl]-1-[4-(phenylmethyl)-1-piperidinyl]- [ACD/Index Name]
1-(4-BENZYLPIPERIDIN-1-YL)-3-{1-[2-(METHYLSULFANYL)ACETYL]PIPERIDIN-4-YL}PROPAN-1-ONE
4-benzyl-1-(3-{1-[(methylthio)acetyl]-4-piperidinyl}propanoyl)piperidine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 593.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.4±23.2 °C
Index of Refraction: 1.560
Molar Refractivity: 116.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 835.25
ACD/KOC (pH 5.5): 4295.72
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 835.25
ACD/KOC (pH 7.4): 4295.73
Polar Surface Area: 66 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 358.8±3.0 cm3

Click to predict properties on the Chemicalize site


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