3-Piperidinecarboxylicacid, ethyl ester, hydrochloride (1:1) (4842-86-8)

The Ethyl piperidine-3-carboxylate hydrochloride with the CAS number 4842-86-8 is also called 3-Piperidinecarboxylicacid, ethyl ester, hydrochloride (1:1). Its molecular formula is C₈H₁₅NO₂^.HCl. This chemical should be stored in dry and cool environment.

The properties of the Ethyl piperidine-3-carboxylate hydrochloride are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 38.33 Å²; (11)Enthalpy of Vaporization: 50.13 kJ/mol; (12)Vapour Pressure: 0.014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(OCC)C1CNCCC1
(2)InChI: InChI=1/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H
(3)InChIKey: ZCEGLOKZSLNARG-UHFFFAOYAX