1-Benzyl-4-piperidinone hydrochloride (1:1)

Basic Information

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CAS Number

20821-52-7

Molecular Formula

C12H16ClNO

Molecular Weight

225.72 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1CN(CCC1=O)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C12H15NO.ClH/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H

InChIKey

IPFLWJCPYGCLHG-UHFFFAOYSA-N

LogP

2.2733

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

187

Synonyms & References

English

AC-15428
1-Benzylpiperidin-4-one--hydrogen chloride (1/1)
DTXSID80622901
A814948
4-Piperidinone, 1-(phenylmethyl)-, hydrochloride
FT-0657953
1-benzylpiperidin-4-one;hydrochloride
1-Benzyl-4-Piperidone HCl
20821-52-7
4-Piperidinone, 1-(phenylmethyl)-, hydrochloride (1:1)
N-Benzyl-4-piperidone hydrochloride
IPFLWJCPYGCLHG-UHFFFAOYSA-N
MFCD06798151
1-benzyl-4-piperidone hydrochloride
SCHEMBL5671727
1-Benzylpiperidin-4-onehydrochloride
1-Benzylpiperidin-4-one HCl
SB44045
1-Benzyl-4-piperidinone hydrochloride
AKOS015918441
AMY905
ZVM47LY75M
1-BenZylpiperidin-4-one hydrchloride
CS-0435104
AS-69751
1-Benzylpiperidin-4-one hydrochloride
UNII-ZVM47LY75M
1-(phenylmethyl)-4-piperidinone hydrochloride
1-BENZYL-4-PIPERIDONE HCL
1-BENZYL-4-PIPERIDONE HYDROCHLORIDE
1-BENZYL-4-PIPERIDINONE HYDROCHLORIDE

MDL Number

MFCD06798151

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 1-Benzyl-4-piperidinone hydrochloride (CAS: 20821-52-7)?

1-Benzyl-4-piperidinone hydrochloride (CAS: 20821-52-7) is a white crystalline powder with a molecular weight of approximately 249.8 g/mol. It has a solubility of about 1 g/mL in water. This compound is relatively stable under normal conditions but can be reactive in the presence of strong bases or acids. It has a hydrochloride salt form, which increases its water solubility and enhances its bioavailability.

How is 1-Benzyl-4-piperidinone hydrochloride (CAS: 20821-52-7) typically synthesized?

1-Benzyl-4-piperidinone hydrochloride is typically synthesized via the condensation of benzylamine and 4-piperidone, followed by acidification with hydrochloric acid. Commonly, the reaction is catalyzed by a Lewis acid, such as aluminum chloride, and takes place in an organic solvent like dichloromethane. The yield can reach up to 80% with good selectivity.

What industries use 1-Benzyl-4-piperidinone hydrochloride (CAS: 20821-52-7)?

1-Benzyl-4-piperidinone hydrochloride (CAS: 20821-52-7) is primarily used in the pharmaceutical industry for its potential as an intermediate in drug synthesis. It also finds applications in the polymer industry, where it can act as a stabilizer or modifier. Additionally, it is used in sensor technology and semiconductor manufacturing due to its chemical reactivity and structural properties.

What precautions should be taken when handling 1-Benzyl-4-piperidinone hydrochloride (CAS: 20821-52-7)?

Proper handling of 1-Benzyl-4-piperidinone hydrochloride (CAS: 20821-52-7) requires the use of personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, it is recommended to use appropriate absorbent materials and ensure proper disposal according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety instructions.