ChemSpider 2D Image | (2S)-3-{(2R,6S)-2,6-Bis[2-(1-naphthyl)ethyl]-1-piperidinyl}-1,2-propanediol | C32H37NO2

(2S)-3-{(2R,6S)-2,6-Bis[2-(1-naphthyl)ethyl]-1-piperidinyl}-1,2-propanediol

  • Molecular FormulaC32H37NO2
  • Average mass467.642 Da
  • Monoisotopic mass467.282440 Da
  • ChemSpider ID34221509

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-3-{(2R,6S)-2,6-Bis[2-(1-naphthyl)ethyl]-1-piperidinyl}-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-3-{(2R,6S)-2,6-Bis[2-(1-naphthyl)ethyl]-1-piperidinyl}-1,2-propanediol [ACD/IUPAC Name]
(2S)-3-{(2R,6S)-2,6-Bis[2-(1-naphtyl)éthyl]-1-pipéridinyl}-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-Propanediol, 3-[(2R,6S)-2,6-bis[2-(1-naphthalenyl)ethyl]-1-piperidinyl]-, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 665.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 348.7±21.0 °C
Index of Refraction: 1.632
Molar Refractivity: 146.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 85.63
ACD/KOC (pH 5.5): 122.48
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 2051.52
ACD/KOC (pH 7.4): 2934.47
Polar Surface Area: 44 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 411.8±3.0 cm3

Click to predict properties on the Chemicalize site


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