structure of 4-[(4-methylpiperidin-1-yl)methyl]benzonitrile

4-[(4-methylpiperidin-1-yl)methyl]benzonitrile

CAS No.: 1000931-95-2
M. Wt: 214.3119965
M. Fa: C14H18N2
InChI Key: CSHDBZOBKRBPGW-UHFFFAOYSA-N

Names and Identifiers of 1000931-95-2

CAS Number

1000931-95-2

MDL Number

MFCD09863331

IUPAC Name

4-[(4-methylpiperidin-1-yl)methyl]benzonitrile

InChI

InChI=1S/C14H18N2/c1-12-6-8-16(9-7-12)11-14-4-2-13(10-15)3-5-14/h2-5,12H,6-9,11H2,1H3

InChIKey

CSHDBZOBKRBPGW-UHFFFAOYSA-N

Canonical SMILES

CC1CCN(CC2=CC=C(C#N)C=C2)CC1

UNSPSC Code

12352100

Physical and chemical properties of 1000931-95-2

H Bond Acceptors

2

H Bond Donors

0

LogP

2.90812399933333

Molecular Formula

C14H18N2

Molecular Weight

214.3119965

Safety Information of 1000931-95-2

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000931-95-2

4-[(4-Methylpiperidin-1-yl)methyl]benzonitrile has potential applications across various domains:

  • Medicinal Chemistry: Due to its biological activity, it may serve as a lead compound for developing new therapeutic agents targeting tyrosine kinases.
  • Material Science: Its unique structural properties could make it useful in developing new materials or chemical sensors.

Interaction Studies of 1000931-95-2

Interaction studies focus on understanding how 4-[(4-Methylpiperidin-1-yl)methyl]benzonitrile binds to various biological targets. These studies are essential for elucidating its mechanism of action and potential therapeutic applications. Research suggests that compounds with similar structures often show varied binding affinities and biological activities, making comparative studies vital.

Biological Activity of 1000931-95-2

Research indicates that 4-[(4-Methylpiperidin-1-yl)methyl]benzonitrile may exhibit significant biological activity. Similar compounds have been noted for their ability to interact with tyrosine kinases, which are crucial in regulating cell growth and apoptosis. If 4-[(4-Methylpiperidin-1-yl)methyl]benzonitrile behaves similarly, it could potentially inhibit cell proliferation and induce programmed cell death, making it a candidate for further investigation in cancer therapy and other diseases.