1-(3-bromophenyl)piperidin-2-one


Chemical Name: 1-(3-bromophenyl)piperidin-2-one
CAS Number: 1016847-66-7
Product Number: AG00057I(AGN-PC-04PK14)
Synonyms:
MDL No:
Molecular Formula: C11H12BrNO
Molecular Weight: 254.1231

Identification/Properties


Computed Properties
Molecular Weight:
254.127g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
253.01g/mol
Monoisotopic Mass:
253.01g/mol
Topological Polar Surface Area:
20.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
219
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

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NMR Spectrum


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Chemical Structure



1-(3-Bromophenyl)piperidin-2-one is a versatile building block in chemical synthesis, widely utilized in the pharmaceutical industry for the creation of novel drug compounds. Its unique structure, containing a piperidine ring and a bromophenyl group, makes it a valuable intermediate in the synthesis of various bioactive molecules.In organic chemistry, 1-(3-Bromophenyl)piperidin-2-one serves as a crucial starting material for the preparation of diverse pharmaceutical agents, such as antipsychotic drugs, analgesics, and serotonin receptor modulators. Its functional groups enable the introduction of additional substituents through various chemical reactions, allowing for the modification of its pharmacological properties.Furthermore, the presence of the bromine atom in the molecule can facilitate further transformations, including cross-coupling reactions and nucleophilic substitutions, leading to the synthesis of more complex and potent therapeutic compounds. Overall, the utility of 1-(3-Bromophenyl)piperidin-2-one in chemical synthesis highlights its significance in drug discovery and development processes.