ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE

This chemical is called 3-Piperidinecarboxylic acid, 1-(phenylmethyl)-, ethyl ester, and it can also be named as Ethyl 1-benzylpiperidine-3-carboxylate. With the molecular formula of C₁₅H₂₁NO₂, its molecular weight is 247.33. The CAS registry number of this chemical is 72551-53-2.

Other characteristics of the 3-Piperidinecarboxylic acid, 1-(phenylmethyl)-, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 19.2; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 199.16; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 71.37 cm³; (15)Molar Volume: 229.9 cm³; (16)Polarizability: 28.29×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.075 g/cm³; (19)Flash Point: 110.7 °C; (20)Enthalpy of Vaporization: 56.93 kJ/mol; (21)Boiling Point: 327 °C at 760 mmHg; (22)Vapour Pressure: 0.000208 mmHg at 25°C.

Production method of this chemical: The 3-Piperidinecarboxylicacid, 1-(phenylmethyl)- could be obtained by the reactant of πperidine-3-carboxylic acid ethyl ester. This reaction needs the reagent of ammonium formate, the catalyst of 10percent Pd-C, and the solvent of methanol. The yield is 91 %. In addition, this reaction should be taken for 10 minutes. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)C2CN(Cc1ccccc1)CCC2
2.InChI: InChI=1/C15H21NO2/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
3.InChIKey: CDMAVYOAEITWFQ-UHFFFAOYAF