ChemSpider 2D Image | (R)-benproperine | C21H27NO

(R)-benproperine

  • Molecular FormulaC21H27NO
  • Average mass309.445 Da
  • Monoisotopic mass309.209259 Da
  • ChemSpider ID31150559

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-benproperine
1-[(2R)-1-(2-Benzylphenoxy)-2-propanyl]piperidin [German] [ACD/IUPAC Name]
1-[(2R)-1-(2-Benzylphenoxy)-2-propanyl]piperidine [ACD/IUPAC Name]
1-[(2R)-1-(2-Benzylphénoxy)-2-propanyl]pipéridine [French] [ACD/IUPAC Name]
124678-30-4 [RN]
Piperidine, 1-[(1R)-1-methyl-2-[2-(phenylmethyl)phenoxy]ethyl]- [ACD/Index Name]
(+)-benproperine
(R)-(+)-benproperine
1-[(2R)-1-(2-benzylphenoxy)propan-2-yl]piperidine
2156-27-6 [RN]
More...

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

A867ZCR5CE [DBID]
UNII:A867ZCR5CE [DBID]
  • Miscellaneous

    • Chemical Class:

      A 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine that has <stereo>R</stereo> configuration. The racemate comprising equimolar amounts of (<stereo>R</stereo>)- and (<stereo>S</stereo>)-benproperine is us ed as a cough suppressant. ChEBI CHEBI:78388
      A 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine that has R configuration. The racemate comprising equimolar amounts of (R)- and (S)-benproperine is us; ed as a cough suppressant. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:78388
      A 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine that has R configuration. The racemate comprising equimolar amounts of (R)- and (S)-benproperine is used as a cough suppressant. ChEBI CHEBI:78388

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

Density: 1.0±0.1 g/cm3
Boiling Point: 433.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 126.8±27.7 °C
Index of Refraction: 1.559
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 4.23
ACD/KOC (pH 5.5): 13.32
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 44.29
ACD/KOC (pH 7.4): 139.65
Polar Surface Area: 12 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 297.4±3.0 cm3

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