1-Piperidineaceticacid, 4-(ethoxycarbonyl)-, ethyl ester (1838-39-7)

The Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate with the cas number 1838-39-7 is also called 1-Carbethoxymethyl-4-carbethoxypiperidine. Both the systematic name and IUPAC name are ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate. Its EINECS registry number is 217-412-3. The molecular formula is C₁₂H₂₁NO₄.

The properties of the chemical are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 11.09; (7)ACD/KOC (pH 5.5): 16.67; (8)ACD/KOC (pH 7.4): 187.11; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 62.57 cm³; (15)Molar Volume: 225.7 cm³; (16)Polarizability: 24.8×10^-24cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Enthalpy of Vaporization: 55.02 kJ/mol; (19)Vapour Pressure: 0.000637 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CN1CCC(C(=O)OCC)CC1
(2)InChI: InChI=1/C12H21NO4/c1-3-16-11(14)9-13-7-5-10(6-8-13)12(15)17-4-2/h10H,3-9H2,1-2H3
(3)InChIKey: OBXXSRPAQLOXJN-UHFFFAOYAW