CAS 68104-63-2

4-(1-Piperazinyl)benzonitrile

Description:

4-(1-Piperazinyl)benzonitrile, with the CAS number 68104-63-2, is an organic compound characterized by its piperazine and benzonitrile functional groups. This compound typically appears as a white to off-white solid and is soluble in polar organic solvents. Its molecular structure features a piperazine ring, which is a six-membered cyclic amine, attached to a benzonitrile moiety, indicating the presence of a nitrile group (-C≡N) on a benzene ring. The piperazine component contributes to its potential biological activity, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. The compound may exhibit properties such as moderate to high lipophilicity, influencing its absorption and distribution in biological systems. Additionally, it may participate in hydrogen bonding due to the presence of nitrogen atoms, affecting its reactivity and interactions with other molecules. Overall, 4-(1-Piperazinyl)benzonitrile serves as a valuable scaffold in drug design and development, particularly in targeting various biological pathways.

Formula: C₁₁H₁₃N₃

InChI: InChI=1S/C11H13N3/c12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14/h1-4,13H,5-8H2

InChI key: InChIKey=DJJNYEXRPRQXPD-UHFFFAOYSA-N

SMILES: C(#N)C1=CC=C(C=C1)N2CCNCC2

Synonyms:

• 4-(1-Piperazinyl)benzonitrile
• 4-Piperazin-1-Ylbenzonitrile
• 4-Piperazinobenzonitrile
• 4-Piperazinylbenzenecarbonitrile
• Benzonitrile, 4-(1-piperazinyl)-
• N-(4-Cyanophenyl)piperazine
• 1-(4-Cyanophenyl)piperazine

4-(1-Piperazinyl)benzonitrile

CAS: 68104-63-2

Formula: C₁₁H₁₃N₃

Purity: >98.0%(GC)(T)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 187.25

Ref: 3B-P2449

4-(Piperazin-1-yl)benzonitrile

CAS: 68104-63-2

Formula: C₁₁H₁₃N₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 187.2410

Ref: IN-DA003JYB

4-(Piperazin-1-yl)benzonitrile

CAS: 68104-63-2

4-(Piperazin-1-yl)benzonitrile

Purity: 95%

Color and Shape: Off-White Solid

Molecular weight: 187.24g/mol

Ref: 54-OR6866

1-(4-Cyanophenyl)piperazine

Controlled Product

CAS: 68104-63-2

Applications 1-(4-Cyanophenyl)piperazine

Formula: C₁₁H₁₃N₃

Color and Shape: Neat

Molecular weight: 187.241

Ref: TR-C955945

1-(4-Cyanophenyl)-piperazine

CAS: 68104-63-2

Formula: C₁₁H₁₃N₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 187.246

Ref: 10-F018123