1,2-Piperidinedicarboxylicacid, 1-(phenylmethyl) ester (28697-07-6)

The N-Carbobenzyloxypiperidine-2-carboxylic acid with cas registry number of 28697-07-6, belongs to the following product categories: Piperidine. It has the systematic name of 1-[(benzyloxy)carbonyl]piperidine-2-carboxylic acid. And it is also named 1,2-piperidinedicarboxylic acid, 1-(phenylmethyl) ester.

Physical properties about this chemical are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): -1.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.64; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 68.17 cm³; (15)Molar Volume: 208 cm³; (16)Polarizability: 27.02×10^-24cm³; (17)Surface Tension: 55 dyne/cm; (18)Enthalpy of Vaporization: 73.95 kJ/mol; (19)Vapour Pressure: 1.16E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OCc1ccccc1)N2C(C(=O)O)CCCC2;
(2)InChI: InChI=1/C14H17NO4/c16-13(17)12-8-4-5-9-15(12)14(18)19-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,17); (3)InChIKey: ZSAIHAKADPJIGN-UHFFFAOYAR;
(4)Std. InChI: InChI=1S/C14H17NO4/c16-13(17)12-8-4-5-9-15(12)14(18)19-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,17);
(5)Std. InChIKey: ZSAIHAKADPJIGN-UHFFFAOYSA-N