ChemSpider 2D Image | (1R,4'S)-3,4-Dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenyl-1-piperidinyl]methanone | C31H34N2O

(1R,4'S)-3,4-Dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenyl-1-piperidinyl]methanone

  • Molecular FormulaC31H34N2O
  • Average mass450.615 Da
  • Monoisotopic mass450.267120 Da
  • ChemSpider ID28488014
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1R,4'S)-3,4-Dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenyl-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
(1R,4'S)-3,4-Dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenyl-1-piperidinyl]methanone [ACD/IUPAC Name]
(1R,4'S)-3,4-Dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphényl-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
(1r,4's)-3,4-Dihydro-2h-Spiro[naphthalene-1,3'-Pyrrolidin]-4'-Yl[(2s,4r)-2,4-Diphenylpiperidin-1-Yl]methanone
Methanone, [(1R,4'S)-3,4-dihydrospiro[naphthalene-1(2H),3'-pyrrolidin]-4'-yl][(2S,4R)-2,4-diphenyl-1-piperidinyl]- [ACD/Index Name]
508

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 653.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.1±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 11.61
ACD/KOC (pH 5.5): 26.89
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 61.50
ACD/KOC (pH 7.4): 142.51
Polar Surface Area: 32 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 56.1±5.0 dyne/cm
Molar Volume: 377.0±5.0 cm3

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