Ethyl Nipecotate

This chemical is called Ethyl piperidine-3-carboxylate (+-)-, and it can also be named as Ethyl Nipecotate. With the molecular formula of C₈H₁₅NO₂, its molecular weight is 157.21. The CAS registry number of this chemical is 71962-74-8.

Other characteristics of the Ethyl piperidine-3-carboxylate (+-)- can be summarised as followings: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.13; (4)ACD/LogD (pH 7.4): -1.61; (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: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 41.99 cm³; (15)Molar Volume: 156.6 cm³; (16)Polarizability: 16.64×10^-24cm³; (17)Surface Tension: 32 dyne/cm; (18)Density: 1.003 g/cm³; (19)Flash Point: 90.6 °C; (20)Enthalpy of Vaporization: 47.55 kJ/mol; (21)Boiling Point: 238.6 °C at 760 mmHg; (22)Vapour Pressure: 0.042 mmHg at 25°C.

Uses of this chemical: The 1-allyl-piperidine-3-carboxylic acid ethyl ester could be obtained by the reactants of 3-bromo-propene and Ethyl piperidine-3-carboxylate (+-)-. This reaction needs the reagents of Na₂CO₃ and benzene.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting 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)C1CNCCC1
2.InChI: InChI=1/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3
3.InChIKey: XIWBSOUNZWSFKU-UHFFFAOYAO