ChemSpider 2D Image | 3-[(3S,4R)-4-(Dimethylamino)-1-(2-naphthylmethyl)-3-piperidinyl]-1-(4-methyl-1-piperidinyl)-1-propanone | C27H39N3O

3-[(3S,4R)-4-(Dimethylamino)-1-(2-naphthylmethyl)-3-piperidinyl]-1-(4-methyl-1-piperidinyl)-1-propanone

  • Molecular FormulaC27H39N3O
  • Average mass421.618 Da
  • Monoisotopic mass421.309326 Da
  • ChemSpider ID22865948

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Propanone, 3-[(3S,4R)-4-(dimethylamino)-1-(2-naphthalenylmethyl)-3-piperidinyl]-1-(4-methyl-1-piperidinyl)- [ACD/Index Name]
3-[(3S,4R)-4-(Dimethylamino)-1-(2-naphthylmethyl)-3-piperidinyl]-1-(4-methyl-1-piperidinyl)-1-propanon [German] [ACD/IUPAC Name]
3-[(3S,4R)-4-(Dimethylamino)-1-(2-naphthylmethyl)-3-piperidinyl]-1-(4-methyl-1-piperidinyl)-1-propanone [ACD/IUPAC Name]
3-[(3S,4R)-4-(Diméthylamino)-1-(2-naphtylméthyl)-3-pipéridinyl]-1-(4-méthyl-1-pipéridinyl)-1-propanone [French] [ACD/IUPAC Name]
(3S*,4R*)-N,N-dimethyl-3-[3-(4-methyl-1-piperidinyl)-3-oxopropyl]-1-(2-naphthylmethyl)-4-piperidinamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 575.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 229.8±19.7 °C
Index of Refraction: 1.601
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 40.12
ACD/KOC (pH 7.4): 145.58
Polar Surface Area: 27 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 381.1±5.0 cm3

Click to predict properties on the Chemicalize site


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