1-(4-Pyridylmethyl)piperazine

The Piperazine, 1-(4-pyridinylmethyl)-, with the CAS registry number of 62089-74-1, is also known as AKOS B004019 and (4-Pyridylmethyl)piperazine. It belongs to the product categories of Piperidine; Amines and Anilines; Heterocycles; API Intermediates; Piperazines. This chemical's molecular formula is C₁₀H₁₅N₃ and molecular weight is 177.25. What's more, its IUPAC name is 1-(Pyridin-4-ylmethyl)piperazine.

Physical properties about Piperazine, 1-(4-pyridinylmethyl)- are: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 19.37 Å²; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 52.61 cm³; (9)Molar Volume: 165 cm³; (10)Polarizability: 20.85×10^-24 cm³; (11)Surface Tension: 43.7 dyne/cm; (12)Density: 1.073 g/cm³; (13)Flash Point: 135.3 °C; (14)Enthalpy of Vaporization: 54.02 kJ/mol; (15)Boiling Point: 300.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00114 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 4-(4-Pyridin-4-ylmethyl-piperazin-1-yl)-benzonitrile. The reaction needs reagent K₂CO₃ and solvent Dimethylformamide. The reaction temperature is 80 °C. The yield is about 59 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccc(cc1)CN2CCNCC2
(2) InChI: InChI=1/C10H15N3/c1-3-11-4-2-10(1)9-13-7-5-12-6-8-13/h1-4,12H,5-9H2
(3) InChIKey: XZYLSJPLCLKCMR-UHFFFAOYAJ