4-PIPERIDINEACETIC ACID HYDROCHLORIDE

The 4-Piperidineacetic acid, with the CAS registry number 51052-78-9, has the systematic name of piperidin-4-ylacetic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₁₃NO₂.

The characteristics of 4-Piperidineacetic acid are as followings: (1)ACD/LogP: 0.04; (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: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 49.33 Ų; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 37.298 cm³; (13)Molar Volume: 134.685 cm³; (14)Polarizability: 14.786×10^-24cm³; (15)Surface Tension: 40.106 dyne/cm; (16)Density: 1.063 g/cm³; (17)Flash Point: 127.263 °C; (18)Enthalpy of Vaporization: 57.87 kJ/mol; (19)Boiling Point: 286.818 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.  

Preparation of 4-Piperidineacetic acid: This chemical can be prepared by pyridin-4-yl-acetic acid. The reaction will need reagent H₂, catalyst PtO₂, and the menstruum H₂O and acetic acid. The reaction time is 72 hours and pressure 2844.3 Pa, and the yield is about 87%. 

Uses of 4-Piperidineacetic acid: It can react with di(tert-butyl) carbonate to produce 4-carboxymethyl-piperidine-1-carboxylic acid tert-butyl ester. This reaction will need reagent NaOH, and the menstruum dioxane. And the yield is about 95%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1CNCCC1CC(=O)O
(2)InChI: InChI=1/C7H13NO2/c9-7(10)5-6-1-3-8-4-2-6/h6,8H,1-5H2,(H,9,10)
(3)InChIKey: YFNOTMRKVGZZNF-UHFFFAOYAU