PD-168077 | Solubility of Things

Identification

Molecular formula

C₂₀H₂₈N₂O₂

CAS number

185913-79-5

IUPAC name

4-[4-(1-piperidyl)butoxy]-3,4-dihydro-2H-isoquinolin-1-one

State

PD-168077 is typically a solid at room temperature, characterized by its crystalline form. It remains stable under normal conditions and requires specific handling to maintain its structural integrity.

Melting point (Celsius)

212.50

Melting point (Kelvin)

485.65

Boiling point (Celsius)

511.50

Boiling point (Kelvin)

784.65

General information

Molecular weight

355.47g/mol

Molar mass

355.4690g/mol

Density

1.2000g/cm³

Appearence

PD-168077 appears as a white to off-white crystalline powder. Its crystal structure can vary slightly, which may affect its appearance in terms of crystal size and uniformity.

Comment on solubility

Solubility of 4-[4-(1-piperidyl)butoxy]-3,4-dihydro-2H-isoquinolin-1-one

The solubility of the compound 4-[4-(1-piperidyl)butoxy]-3,4-dihydro-2H-isoquinolin-1-one (C₂₀H₂₈N₂O₂) can be influenced by several factors. Here are some key points regarding its solubility characteristics:

Polarity: The presence of polar functional groups, such as the amine and ether moieties, can enhance the solubility in polar solvents like water, although the hydrocarbon portion may limit this effect.
Solvent Interaction: This compound is likely to show improved solubility in organic solvents such as ethanol or dichloromethane due to the hydrophobic interactions.
Temperature Dependence: As with many organic compounds, an increase in temperature may promote solubility, allowing for increased dissolution in various solvents.
pH Influence: The solubility could also be affected by the pH of the solution since the piperidine nitrogen atom can undergo protonation, altering the molecule's overall charge and solubility behavior.

In summary, while the exact solubility of this compound requires empirical measurement, it is important to consider its structural features and the nature of the solvent to fully understand its solubility profile. Always keep in mind that the solubility of a compound is a critical parameter affecting its practical applications.

Interesting facts

Interesting Facts about 4-[4-(1-Piperidyl)butoxy]-3,4-dihydro-2H-isoquinolin-1-one

This compound is a fascinating example of a synthetic organic molecule characterized by a complex structure that merges isoquinoline and piperidine functionalities. Here are some intriguing aspects:

Pharmacological Potential: Compounds that incorporate isoquinoline skeletons often exhibit interesting biological activities, including anti-cancer, anti-inflammatory, and anti-depressant effects. Researchers are continually exploring these properties for therapeutic applications.
Versatile Chemistry: The presence of a piperidine ring adds to the versatility of this compound, allowing it to interact with various biological targets due to its ability to facilitate hydrogen bonding and ionic interactions.
Structure-Activity Relationship (SAR): The unique structural features of this molecule make it a valuable candidate for SAR studies, crucial in medicinal chemistry for designing more effective drugs. Understanding how alterations in the structure affect biological activity can lead to more optimized pharmaceuticals.
Synthetic Pathways: The synthesis of such complex architectures typically involves multiple reaction steps, utilizing techniques like nucleophilic substitution and various coupling reactions, reflecting the ingenuity required in organic synthesis.
Research Applications: Given its potential pharmacological benefits, this compound can be an essential subject in academic and industrial research focused on discovering new drugs, particularly in the field of neuroscience and oncology.

In summary, the compound 4-[4-(1-piperidyl)butoxy]-3,4-dihydro-2H-isoquinolin-1-one exemplifies the rich intersection of synthetic organic chemistry and medicinal research, providing an exciting opportunity for further exploration and development.

Synonyms

CHEMBL4461120