51345-82-5 Usage
Chemical structure
1-[4-(benzyloxy)phenyl]-3-(piperidin-1-yl)propan-1-one is a complex organic compound consisting of a benzene ring connected to a piperidine ring and a ketone group.
Benzene ring
The compound contains a benzene ring, which is a six-membered aromatic ring with alternating single and double bonds.
Benzyloxy group
The benzene ring is connected to a benzyloxy group, which is a benzyl group (a phenylmethyl group) attached to an oxygen atom.
Piperidine ring
The compound also contains a piperidine ring, which is a six-membered nitrogen-containing ring with the nitrogen atom in the 1-position.
Ketone group
The molecule has a ketone group (C=O) attached to the 3-position of the propanone backbone.
Potential applications
1-[4-(benzyloxy)phenyl]-3-(piperidin-1-yl)propan-1-one has potential uses in the pharmaceutical industry due to its structural features and possible biological activity.
Organic synthesis
It can be used as a building block in the preparation of other compounds, making it valuable for researchers in various fields of chemistry.
Unique structure
The combination of the benzene, benzyloxy, piperidine, and ketone groups gives 1-[4-(benzyloxy)phenyl]-3-(piperidin-1-yl)propan-1-one a unique structure that may contribute to its potential reactivity and applications.
Reactivity
The compound's reactivity may be influenced by the presence of the aromatic rings, the nitrogen-containing piperidine ring, and the ketone group, which can participate in various chemical reactions.
Research tool
Due to its unique structure and potential reactivity, 1-[4-(benzyloxy)phenyl]-3-(piperidin-1-yl)propan-1-one can be a valuable tool for researchers in chemistry and biology to study and develop new compounds and applications.
Check Digit Verification of cas no
The CAS Registry Mumber 51345-82-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,3,4 and 5 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 51345-82:
(7*5)+(6*1)+(5*3)+(4*4)+(3*5)+(2*8)+(1*2)=105
105 % 10 = 5
So 51345-82-5 is a valid CAS Registry Number.
51345-82-5Relevant academic research and scientific papers
Setup and validation of a reliable docking protocol for the development of neuroprotective agents by targeting the sigma-1 receptor (S1R)
Rossino, Giacomo,Rui, Marta,Pozzetti, Luca,Schepmann, Dirk,Wünsch, Bernhard,Zampieri, Daniele,Pellavio, Giorgia,Laforenza, Umberto,Rinaldi, Silvia,Colombo, Giorgio,Morelli, Laura,Linciano, Pasquale,Rossi, Daniela,Collina, Simona
, p. 1 - 21 (2020/10/28)
Sigma-1 receptor (S1R) is a promising molecular target for the development of novel effective therapies against neurodegenerative diseases. To speed up the discovery of new S1R modulators, herein we report the development of a reliable in silico protocol suitable to predict the affinity of small molecules against S1R. The docking method was validated by comparing the computational calculated Ki values of a test set of new aryl-aminoalkyl-ketone with experimental determined binding affinity. The druggability profile of the new compounds, with particular reference to the ability to cross the blood–brain barrier (BBB) was further predicted in silico. Moreover, the selectivity over Sigma-2 receptor (S2R) and N-methyl-d-aspartate (NMDA) receptor, another protein involved in neurodegeneration, was evaluated. 1-([1,1′-biphenyl]-4-yl)-4-(piperidin-1-yl)butan-1-one (12) performed as the best compound and was further investigated for acetylcholinesterase (AchE) inhibitor activity and determination of antioxidant activity mediated by aquaporins (AQPs). With a good affinity against both S1R and NMDA receptor, good selectivity over S2R and favorable BBB penetration potential together with its AChE inhibitory activity and its ability to exert antioxidant effects through modulation of AQPs, 12 represents a viable candidate for further development as a neuroprotective agent.
