ChemSpider 2D Image | 3-[(3S,4S)-3,4-Dimethyl-1-(2-phenylethyl)-4-piperidinyl]phenol | C21H27NO

3-[(3S,4S)-3,4-Dimethyl-1-(2-phenylethyl)-4-piperidinyl]phenol

  • Molecular FormulaC21H27NO
  • Average mass309.445 Da
  • Monoisotopic mass309.209259 Da
  • ChemSpider ID115284944

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(3S,4S)-3,4-Dimethyl-1-(2-phenylethyl)-4-piperidinyl]phenol [German] [ACD/IUPAC Name]
3-[(3S,4S)-3,4-Dimethyl-1-(2-phenylethyl)-4-piperidinyl]phenol [ACD/IUPAC Name]
3-[(3S,4S)-3,4-Diméthyl-1-(2-phényléthyl)-4-pipéridinyl]phénol [French] [ACD/IUPAC Name]
Phenol, 3-[(3S,4S)-3,4-dimethyl-1-(2-phenylethyl)-4-piperidinyl]- [ACD/Index Name]
1-(2-Phenylethyl)-3β,4-dimethyl-4β-(3-hydroxyphenyl)piperidine
3-[(3S,4S)-3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenol
82970-72-7 [RN]

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

LY 106737 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 445.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 208.0±27.4 °C
Index of Refraction: 1.561
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 6.29
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 8.47
ACD/KOC (pH 7.4): 35.01
Polar Surface Area: 23 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 296.8±3.0 cm3

Click to predict properties on the Chemicalize site


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