1204-85-9 | 4-Piperidin-1-ylbenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$26.00	$18.00
1g	97%	in stock	$41.00	$29.00
5g	97%	in stock	$89.00	$62.00
25g	97%	in stock	$249.00	$175.00
100g	97%	in stock	$712.00	$498.00

Description

• Catalog Number: AD34128
• Chemical Name: 4-Piperidin-1-ylbenzonitrile
• CAS Number: 1204-85-9
• Molecular Formula: C12H14N2
• Molecular Weight: 186.253
• MDL Number: MFCD02575368
• SMILES: N#Cc1ccc(cc1)N1CCCCC1

Computed Properties

• Complexity: 214
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 3.1

Upstream Synthesis Route

4-(Piperidin-1-yl)benzonitrile is a versatile compound widely employed in chemical synthesis. It serves as a crucial building block for the creation of various pharmaceuticals, agrochemicals, and advanced materials. This compound is particularly valued for its ability to introduce the piperidine and benzonitrile functionalities simultaneously into complex molecular structures. In organic synthesis, it acts as a key intermediate in the development of novel drug candidates and bioactive compounds. Additionally, its unique structural features make it an essential component in the construction of diverse heterocyclic compounds, offering pathways to intricate molecular frameworks with significant biological and pharmacological properties. Furthermore, 4-(Piperidin-1-yl)benzonitrile demonstrates valuable reactivity profiles that enable facile manipulation and functionalization, making it a fundamental tool for chemical researchers and synthetic chemists alike.

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• Electrolyte-concentration and ion-size dependence of excited-state intramolecular charge-transfer reaction in (alkylamino)benzonitriles: steady-state spectroscopic studies.

  The journal of physical chemistry. A 20071115

• Electrolyte-concentration and ion-size dependence of excited-state intramolecular charge-transfer reaction in (alkylamino)benzonitriles: time-resolved fluorescence emission studies.

  The journal of physical chemistry. A 20071115

• Solvent dependence of the spectra and kinetics of excited-state charge transfer in three (alkylamino)benzonitriles.

  The journal of physical chemistry. B 20050203