Found 153 results

Search term: MF = 'C_{16}H_{20}INO_{2}'
ChemSpider 2D Image | Methyl (3S,4S)-4-{4-[(Z)-2-iodovinyl]phenyl}-1-methyl-3-piperidinecarboxylate | C16H20INO2

Methyl (3S,4S)-4-{4-[(Z)-2-iodovinyl]phenyl}-1-methyl-3-piperidinecarboxylate

  • Molecular FormulaC16H20INO2
  • Average mass385.240 Da
  • Monoisotopic mass385.053864 Da
  • ChemSpider ID23276205

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-4-{4-[(Z)-2-Iodovinyl]phényl}-1-méthyl-3-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 4-[4-[(Z)-2-iodoethenyl]phenyl]-1-methyl-, methyl ester, (3S,4S)- [ACD/Index Name]
methyl (3S,4S)-4-{4-[(Z)-2-iodoethenyl]phenyl}-1-methylpiperidine-3-carboxylate
Methyl (3S,4S)-4-{4-[(Z)-2-iodovinyl]phenyl}-1-methyl-3-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-(3S,4S)-4-{4-[(Z)-2-iodvinyl]phenyl}-1-methyl-3-piperidincarboxylat [German] [ACD/IUPAC Name]
(3S,4S)-methyl 4-(4-(2-iodovinyl)phenyl)-1-methylpiperidine-3-carboxylate
CHEMBL213921

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

Density: 1.5±0.1 g/cm3
Boiling Point: 425.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 211.0±28.7 °C
Index of Refraction: 1.609
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 8.54
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 52.64
ACD/KOC (pH 7.4): 419.16
Polar Surface Area: 30 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 262.6±3.0 cm3

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