2-(PIPERIDIN-4-YL)-ACETIC ACID ETHYL ESTER

This chemical is called Ethyl piperidin-4-ylacetate, and its CAS registry number is 59184-90-6. With the molecular formula of C₉H₁₇NO₂, its molecular weight is 171.24. Additionally, its product category is Piperidine.

Other characteristics of the Ethyl piperidin-4-ylacetate can be summarised as followings: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.91; (4)ACD/LogD (pH 7.4): -1.76; (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): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 46.77 cm³; (15)Molar Volume: 176.5 cm³; (16)Polarizability: 18.54×10^-24cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 0.969 g/cm³; (19)Flash Point: 94.6 °C; (20)Enthalpy of Vaporization: 46.95 kJ/mol; (21)Boiling Point: 232.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0577 mmHg at 25°C.

Production method of this chemical: The Ethyl piperidin-4-ylacetate could be obtained by the reactant of 4-ethoxycarbonylmethylene-piperidine-1-carboxylic acid phenyl ester. This reaction needs the reagent of H₂, and the solvent of methanol. The yield is 95 %. In addition, this reaction should be taken for 45 minutes.

Uses of this chemical: The Ethyl piperidin-4-ylacetate could react with benzaldehyde, and obtain the (1-benzyl-piperidin-4-yl)-acetic acid ethyl ester. This reaction needs the reagent of titanium(IV) iso-propoxide, NaBH₃CN, and the solvent of ethanol. The yield is 76 %. In addition, this reaction should be taken for 1 hour.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OCC)CC1CCNCC1
2.InChI: InChI=1/C9H17NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
3.InChIKey: IHSUFLCKRIHFGY-UHFFFAOYAN