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N-methylbenzylpiperidinylphenyl ester

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Identification
Molecular formula
C25H40Cl2N3
CAS number
112568-12-4
IUPAC name
3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane;dichloride
State
State

Solid at room temperature.

Melting point (Celsius)
139.00
Melting point (Kelvin)
412.15
Boiling point (Celsius)
404.15
Boiling point (Kelvin)
677.30
General information
Molecular weight
412.43g/mol
Molar mass
412.4300g/mol
Density
1.0400g/cm3
Appearence

The compound appears as a white or off-white crystalline powder. It is typically found in a solid state at room temperature.

Comment on solubility

Solubility of 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane;dichloride

The solubility of 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane;dichloride can be intriguing to explore, particularly considering its quaternary ammonium structure and the presence of chloride ions. Here are some key points regarding its solubility characteristics:

  • Polarity: The presence of charged piperidinium and azabicyclic elements typically indicates a higher degree of polarity, likely enhancing its solubility in polar solvents, especially water.
  • Hydrophilicity: As a quaternary ammonium salt, this compound may exhibit significant hydrophilic properties, suggesting it will dissolve well in aqueous solutions.
  • Solvent Compatibility: It may also show variable solubility in organic solvents. Non-polar solvents typically yield lower solubility due to the compound's polar character.
  • Temperature Influence: Like many salts, solubility might increase with temperature, allowing for greater dissolution at elevated levels.
  • Applications: Given its potential solubility in water, this compound could find utility in various fields, including pharmaceuticals, where solubility plays a crucial role in bioavailability.

In summary, the solubility of 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane;dichloride is likely to be high in polar solvents, particularly water, while exhibiting low solubility in non-polar environments. Understanding these solubility traits can help in predicting the behavior of the compound in different chemical contexts.

Interesting facts

Exploring 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane; dichloride

This remarkable compound, with its intriguing name, showcases the complexity and versatility of organic chemistry. Below are some engaging facts about this fascinating chemical:

  • Structural Marvel: The compound features a bicyclic structure, which is significant in medicinal chemistry for its potential to interact with biological systems. Bicyclic compounds often exhibit unique pharmacological properties due to their constrained geometry.
  • Role of the Piperidine Ring: The inclusion of a piperidine moiety is noteworthy. Piperidines are commonly found in various pharmaceuticals and play crucial roles as ligands in drug-receptor interactions.
  • Charge Potential: As an azabicyclo compound, it contains a positively charged nitrogen atom that contributes to its biological activity. Positively charged compounds can exhibit enhanced interactions with negatively charged biological targets.
  • Therapeutic Implications: Compounds of this type are often studied for their potential use in treating neurological disorders, due to the structural similarity to neurotransmitters. This opens avenues for future drug development.
  • Research Interest: The complexity of 9-aza and its fusion with other functional groups provides a rich playground for research and development in synthetic organic chemistry, opening doors to novel compounds with targeted properties.

In summary, 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane; dichloride is not just a mouthful to say—it represents the intersection of structure and function, a critical area of study in the development of new therapeutic agents. The synthesis and characterization of such compounds can lead to groundbreaking discoveries in medicinal chemistry.

Synonyms
3-Benzyl-9-(2-piperidinoethyl)-3,9-diazabicyclo(3.3.1)nonane dihydrochloride
23462-13-7
3,9-DIAZABICYCLO(3.3.1)NONANE, 3-BENZYL-9-(2-PIPERIDINOETHYL)-, DIHYDROCHLORIDE
Piperidine, 1-(2-(3-benzyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl)-, dihydrochloride
RefChem:272784