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Varenicline

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Identification
Molecular formula
C16H17N3O3
CAS number
249296-44-4
IUPAC name
[2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl] acetate
State
State

At room temperature, Varenicline is typically in a solid state, specifically as a crystalline powder. It is stable under normal conditions and is formulated into tablets for therapeutic use.

Melting point (Celsius)
223.00
Melting point (Kelvin)
496.15
Boiling point (Celsius)
450.00
Boiling point (Kelvin)
723.15
General information
Molecular weight
211.27g/mol
Molar mass
211.2730g/mol
Density
1.2000g/cm3
Appearence

Varenicline generally appears as a white to off-white crystalline powder. It is often found in its tartrate salt form which is designed for ingestion in various pharmaceutical formulations.

Comment on solubility

Solubility of 2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl] acetate

The solubility of the compound C16H17N3O3, also known as 2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl] acetate, can be influenced by various factors. Here are some key points regarding its solubility:

  • Polarity: This compound contains both polar (amino and acetate groups) and non-polar (phenyl and piperidine moieties) elements, which can lead to diverse solubility characteristics in different solvents.
  • Water Solubility: Due to the presence of polar functional groups, it is likely to exhibit moderate solubility in water, making it applicable in various aqueous scenarios.
  • Organic Solvents: It may be more soluble in organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO), which favor non-polar interactions.
  • Temperature Dependence: Like many compounds, the solubility can vary with temperature; increasing the temperature often enhances solubility.
  • pH Effects: The solubility is also susceptible to pH changes, particularly because of the amino group that may become protonated in acidic conditions, thus enhancing solubility.

In conclusion, the solubility of this compound is a nuanced characteristic that depends on several physicochemical parameters. As highlighted above, it can vary based on the solvent used, temperature, and the pH of the solution. As the saying goes, "Like dissolves like," and this principle often governs the solubility profiles of compounds such as 2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl] acetate.

Interesting facts

Interesting Facts about 2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl] acetate

The compound 2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl] acetate is a fascinating example of a complex organic molecule with potential applications in medicinal chemistry. Here are some intriguing points about this compound:

  • Multi-functional Properties: This compound features a unique structure that combines multiple functional groups, making it a versatile candidate for further modification and optimization in drug design.
  • Piperidine Ring: The presence of the piperidine moiety introduces basic nitrogen atoms which are known to participate in drug-receptor interactions, possibly enhancing the biological activity of this compound.
  • Phenoxy Linkage: The phenoxy group serves as an important scaffold that can influence the compound's interaction with biological targets, potentially affecting its therapeutic efficacy.
  • Potential Therapeutic Applications: Given its complex structure, 2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl] acetate is of interest in the development of pharmaceuticals, especially within the fields of neuropharmacology and anti-inflammatory drugs.

Moreover, the research revolving around such compounds often emphasizes the importance of structure-activity relationships (SAR), which plays a critical role in optimizing lead compounds in drug discovery. Scientists aim to understand how slight modifications in these complex molecules can significantly influence their biological activity and therapeutic profile.

In summary, the exploration of 2-oxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]ethyl] acetate not only offers insight into synthetic methodologies but also expands our understanding of the intricate relationship between molecular structure and function in medicinal chemistry.

Synonyms
ROXATIDINE ACETATE
78628-28-1
Aceroxatidine
Pifatidine
Roxatidinum
Roxane
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
2-Oxo-2-((3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)amino)ethyl acetate
ZUP3LSD0DO
Aceroxatidine; Pifatidine
Acetamide, 2-(acetyloxy)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-
78628-28-1 (roxatidine acetate)
Roxatidinum [Latin]
Acetamide, 2-(acetyloxy)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-
UNII-ZUP3LSD0DO
NCGC00167499-01
BRN 5829308
Roxatidine acetate [INN:BAN]
SR-01000763240
2-Oxo-2-({3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}amino)ethyl acetate
roxatidine-acetate
2-(Acetyloxy)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)acetamide
Roxatidine acetate (BAN)
SCHEMBL1393
CHEMBL46102
ROXATIDINE ACETATE [MI]
DTXSID2048325
CHEBI:94758
SMTZFNFIKUPEJC-UHFFFAOYSA-N
HMS2090N03
ROXATIDINE ACETATE [VANDF]
DDA62828
HY-B0305
ROXATIDINE ACETATE [WHO-DD]
BDBM50404032
AKOS005066299
AC-8537
DB08806
DB-056321
CS-0013784
NS00099003
D08495
AB00698491-07
AB00698491_08
AB00698491_09
L013395
SR-01000763240-3
BRD-K81855038-003-12-1
BRD-K81855038-003-13-9
BRD-K81855038-003-14-7
Q20077596
({3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}carbamoyl)methyl acetate
2-oxo-2-(3-(3-(piperidin-1-ylmethyl)phenoxy)propylamino)ethyl acetate
ACETAMIDE, 2-(ACETYLOXY)-N-(3-(3-(1-PIPERIDINYLMETHYL)PHENOXY)PROPYL-