2-Pyrrolidinone, 1-(4-piperidinyl)-


Chemical Name: 2-Pyrrolidinone, 1-(4-piperidinyl)-
CAS Number: 91596-61-1
Product Number: AG00GUIW(AGN-PC-01U75X)
Synonyms:
MDL No:
Molecular Formula: C9H16N2O
Molecular Weight: 168.2361

Identification/Properties


Properties
BP:
320.169 °C at 760 mmHg
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
168.24g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
168.126g/mol
Monoisotopic Mass:
168.126g/mol
Topological Polar Surface Area:
32.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
175
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:
H315-H319-H335
Precautionary Statements:
P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(Piperidin-4-yl)pyrrolidin-2-one is a versatile compound with significant applications in chemical synthesis. It serves as a valuable building block in the creation of various organic molecules due to its unique structural features and reactivity. This compound is commonly employed in the pharmaceutical industry for the synthesis of potential drug candidates, as well as in the development of novel materials and bioactive compounds. Its specific chemical properties make it a valuable tool for the creation of complex molecular structures, enabling researchers to explore new avenues in drug discovery and materials science. In addition, the presence of both a piperidine and pyrrolidinone moiety in its structure imparts distinct characteristics that can be harnessed for the selective modification of target molecules in a controlled manner. This compound plays a crucial role in the advancement of synthetic chemistry, offering exciting opportunities for the design and creation of diverse chemical entities with potential applications in various fields.