ChemSpider 2D Image | 4-[(1R,2R)-2-(4-Benzyl-1-piperidinyl)-1-hydroxypropyl]phenol | C21H27NO2

4-[(1R,2R)-2-(4-Benzyl-1-piperidinyl)-1-hydroxypropyl]phenol

  • Molecular FormulaC21H27NO2
  • Average mass325.445 Da
  • Monoisotopic mass325.204193 Da
  • ChemSpider ID23342827

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidineethanol, α-(4-hydroxyphenyl)-β-methyl-4-(phenylmethyl)-, (αR,βR)- [ACD/Index Name]
4-[(1R,2R)-2-(4-Benzyl-1-piperidinyl)-1-hydroxypropyl]phenol [German] [ACD/IUPAC Name]
4-[(1R,2R)-2-(4-Benzyl-1-piperidinyl)-1-hydroxypropyl]phenol [ACD/IUPAC Name]
4-[(1R,2R)-2-(4-Benzyl-1-pipéridinyl)-1-hydroxypropyl]phénol [French] [ACD/IUPAC Name]
4-[(1R,2R)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
74991-34-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL493054/
Ifenprodil [INN] [Wiki]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 493.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 80.1±0.0 kJ/mol
Flash Point: 248.7±0.0 °C
Index of Refraction: 1.599
Molar Refractivity: 97.6±0.0 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.34
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 8.25
ACD/KOC (pH 7.4): 40.34
Polar Surface Area: 44 Å2
Polarizability: 38.7±0.0 10-24cm3
Surface Tension: 50.6±0.0 dyne/cm
Molar Volume: 285.3±0.0 cm3

Click to predict properties on the Chemicalize site


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