1-PIPERIDINEPROPIONIC ACID ETHYL ESTER

The CAS register number of 1-Piperidinepropanoicacid, ethyl ester is 19653-33-9. It also can be called as Ethyl piperidine-1-propionate and the IUPAC name about this chemical is ethyl 3-piperidin-1-ylpropanoate. The molecular formula about this chemical is C₁₀H₁₉NO₂ and the molecular weight is 185.26.

Physical properties about 1-Piperidinepropanoicacid, ethyl ester are: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): -0.83; (3)ACD/LogD (pH 7.4): 0.54; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 8.84; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 29.54Ų; (11)Index of Refraction: 1.461; (12)Molar Refractivity: 51.62 cm³; (13)Molar Volume: 188 cm³; (14)Polarizability: 20.46x10^-24cm³; (15)Surface Tension: 33.5 dyne/cm; (16)Flash Point: 87.8 °C; (17)Enthalpy of Vaporization: 45.44 kJ/mol; (18)Boiling Point: 218 °C at 760 mmHg; (19)Vapour Pressure: 0.129 mmHg at 25°C.

Preparation: this chemical can be prepared by acrylic acid ethyl ester and piperidine. This reaction is a kind of Michael addition reaction. It will need reagent NaOH and solvent tetrahydrofuran.

Uses of 1-Piperidinepropanoicacid, ethyl ester: it can be used to produce 3-(2-Aminophenyl)-5-(2-πperidinoethyl)-1,2,4-oxadiazol with 2-amino-N-hydroxy-benzamidine at heating. This reaction will need reagent NaOEt and solvent ethanol. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact 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)CCN1CCCCC1
(2)InChI: InChI=1/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3
(3)InChIKey: MPAWVDTVWPPKJQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3
(5)Std. InChIKey: MPAWVDTVWPPKJQ-UHFFFAOYSA-N