3-Amino-2-[4-butoxycarbonyl(piperazino)]pyridine

This chemical is called 1-Piperazinecarboxylic acid, 4-(3-amino-2-pyridinyl)-, 1,1-dimethylethyl ester, and its IUPAC name is tert-butyl 4-(3-aminopyridin-2-yl)piperazine-1-carboxylate. With the molecular formula of C₁₄H₂₂N₄O₂, its molecular weight is 278.35. The CAS registry number of this chemical is 111669-25-1. Additionally, its product categories are Pharmacetical; Amines; Pyridines.

Other characteristics of the 1-Piperazinecarboxylic acid, 4-(3-amino-2-pyridinyl)-, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.84; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.18; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 48.91 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 77.16 cm³; (15)Molar Volume: 235.4 cm³; (16)Polarizability: 30.59×10^-24cm³; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.182 g/cm³; (19)Flash Point: 225.3 °C; (20)Enthalpy of Vaporization: 70.74 kJ/mol; (21)Boiling Point: 448.8 °C at 760 mmHg; (22)Vapour Pressure: 3E-08 mmHg at 25°C.

Production method of this chemical: The 1-Piperazinecarboxylic acid, 4-(3-amino-2-pyridinyl)-, 1,1-dimethylethyl ester could be obtained by the reactant of 4-(3-nitro-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester. This reaction needs the reagent of H₂, the catalyst of 10 percent Pd/C and the solvent of methanol.

Uses of this chemical: The 1-Piperazinecarboxylic acid, 4-(3-amino-2-pyridinyl)-, 1,1-dimethylethyl ester could react with 2-methoxy-propene to obtain the {2-[1-(tert-Butyloxycarbonyl)-4-piperazinyl]pyridin-3-yl}(1-methylethylidene)amine. This reaction needs the reagent of Et₃N, PPTS, and the solvent of CHCl₃. The yield is 100 %. In addition, this reaction should be taken for 16 hours at the temperature of 100 °C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OC(C)(C)C)N2CCN(c1ncccc1N)CC2
2.InChI: InChI=1/C14H22N4O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-11(15)5-4-6-16-12/h4-6H,7-10,15H2,1-3H3
3.InChIKey: CBTYZJKYXVDWOG-UHFFFAOYAQ