ChemSpider 2D Image | (1S,1'R)-2,2'-[(2R,6S)-1-Methyl-2,6-piperidinediyl]bis(1-phenylethanol) | C22H29NO2

(1S,1'R)-2,2'-[(2R,6S)-1-Methyl-2,6-piperidinediyl]bis(1-phenylethanol)

  • Molecular FormulaC22H29NO2
  • Average mass339.471 Da
  • Monoisotopic mass339.219818 Da
  • ChemSpider ID66001286

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,1'R)-2,2'-[(2R,6S)-1-Methyl-2,6-piperidindiyl]bis(1-phenylethanol) [German] [ACD/IUPAC Name]
(1S,1'R)-2,2'-[(2R,6S)-1-Methyl-2,6-piperidinediyl]bis(1-phenylethanol) [ACD/IUPAC Name]
(1S,1'R)-2,2'-[(2R,6S)-1-Méthyl-2,6-pipéridinediyl]bis(1-phényléthanol) [French] [ACD/IUPAC Name]
2,6-Piperidinediethanol, 1-methyl-α,α'-diphenyl-, (α2R,α6S,2S,6R)- [ACD/Index Name]
552-72-7 [RN]
Lobelanidin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 494.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 242.3±20.4 °C
Index of Refraction: 1.571
Molar Refractivity: 102.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.44
Polar Surface Area: 44 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 310.6±3.0 cm3

Click to predict properties on the Chemicalize site


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