[1,4']Bipiperidinyl-3-carboxylic acid ethyl ester (340962-71-2)

The [1,4']Bipiperidinyl-3-carboxylic acid ethyl ester with the cas number 340962-71-2 is also called [1,4'-Bipiperidine]-3-carboxylic acid, ethyl ester. The systematic name is ethyl 1,4'-bipiperidine-3-carboxylate. Its molecular formula is C₁₃H₂₄N₂O₂.

The properties of the chemical are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.57; (4)ACD/LogD (pH 7.4): -1.68 ; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78Ų; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 66.65 cm³; (15)Molar Volume: 227.7 cm³; (16)Polarizability: 26.42×10^-24cm³; (17)Surface Tension: 38.5 dyne/cm; (18)Enthalpy of Vaporization: 56.97 kJ/mol ; (19)Vapour Pressure: 0.000203 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C2CN(C1CCNCC1)CCC2
(2)InChI: InChI=1/C13H24N2O2/c1-2-17-13(16)11-4-3-9-15(10-11)12-5-7-14-8-6-12/h11-12,14H,2-10H2,1H3
(3)InChIKey: NCCMYMPJFQWVCO-UHFFFAOYAU