1-Butanone, 1-[4-(1,1-dimethylethyl)phenyl]-4-(4-hydroxy-1-piperidinyl)-


Chemical Name: 1-Butanone, 1-[4-(1,1-dimethylethyl)phenyl]-4-(4-hydroxy-1-piperidinyl)-
CAS Number: 97928-18-2
Product Number: AG006AKI(AGN-PC-02P1ZY)
Synonyms:
MDL No:
Molecular Formula: C19H29NO2
Molecular Weight: 303.4391

Identification/Properties


Properties
MP:
70-73 °C
BP:
450.832 °C at 760 mmHg
Storage:
-10 ℃;Keep in dry area;
Form:
Solid
Computed Properties
Molecular Weight:
303.446g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
303.22g/mol
Monoisotopic Mass:
303.22g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
345
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(4-(tert-Butyl)phenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one is a versatile compound widely utilized in chemical synthesis for its unique properties and diverse applications. One key application of this compound is as a building block in the synthesis of novel pharmaceutical agents. Its specific structural features, including the tert-butylphenyl and hydroxypiperidinyl moieties, make it an ideal starting material for the development of bioactive molecules.In medicinal chemistry, this compound serves as a valuable intermediate in the preparation of potential drug candidates targeting various therapeutic areas such as central nervous system disorders, cardiovascular diseases, and inflammation. The presence of the hydroxypiperidine group enhances the compound's pharmacological properties, allowing for targeted interactions with biological receptors or enzymes.Moreover, the tert-butylphenyl group provides steric hindrance and modulates the compound's lipophilicity, impacting its drug-like characteristics and metabolic stability. Through strategic chemical modifications and structural derivatization, researchers can tailor the properties of the final compounds for improved efficacy, bioavailability, and safety profiles.Overall, 1-(4-(tert-Butyl)phenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one plays a crucial role in the design and synthesis of biologically active compounds with therapeutic potential, highlighting its significance in modern drug discovery and development efforts.