PIPERIDIN-1-YL-ACETIC ACID

The CAS register number of 1-Piperidineacetic acid is 3235-67-4. It also can be called as Piperidin-1-ylacetic acid and the IUPAC name about this chemical is 2-piperidin-1-ylacetic acid. The molecular formula about this chemical is C₇H₁₃NO₂ and the molecular weight is 143.18. It belongs to the Amino Acids and Derivatives.

Physical properties about 1-Piperidineacetic acid are: (1)ACD/LogP: 0.96; (2)ACD/LogD (pH 5.5): -1.54; (3)ACD/LogD (pH 7.4): -1.54; (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): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54Ų; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 37.51 cm³; (14)Molar Volume: 129.7 cm³; (15)Polarizability: 14.87x10^-24cm³; (16)Surface Tension: 41.5 dyne/cm; (17)Flash Point: 106.3 °C; (18)Enthalpy of Vaporization: 53.9 kJ/mol; (19)Boiling Point: 252.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00615 mmHg at 25°C.

Preparation: this chemical can be prepared by piperidin-1-yl-acetic acid ethyl ester at heating. This reaction will need reagent NaOH and solvent H₂O. The yield is about 50%.

Uses of 1-Piperidineacetic acid: it can be used to produce (1-oxy-piperidin-1-yl)-acetic acid at temperature of 60 ℃. This reaction will need reagent 30percent H₂O₂ and solvent acetic acid with reaction time of 12 hours. The yield is about 36%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN1CCCCC1
(2)InChI: InChI=1/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)
(3)InChIKey: VRDBIJCCXDEZJN-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H13NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-6H2,(H,9,10)
(5)Std. InChIKey: VRDBIJCCXDEZJN-UHFFFAOYSA-N