1-BENZOYLPIPERIDINE-4-CARBOXYLIC ACID

The 4-Piperidinecarboxylicacid, 1-benzoyl-, with CAS registry number 5274-99-7, belongs to the following product categories: (1)Pharmacetical; (2)Piperidine. It has the systematic name of 1-benzoylpiperidine-4-carboxylic acid. And the chemica; formula of this chemical is C₁₃H₁₅NO₃. What's more, its EINECS is 226-099-2.

Physical properties of 4-Piperidinecarboxylicacid, 1-benzoyl-: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.66; (4)ACD/LogD (pH 7.4): -2.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.31; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 62.37 cm³; (15)Molar Volume: 186.7 cm³; (16)Polarizability: 24.72×10^-24cm³; (17)Surface Tension: 53.9 dyne/cm; (18)Density: 1.248 g/cm³; (19)Flash Point: 219.2 °C; (20)Enthalpy of Vaporization: 73.33 kJ/mol; (21)Boiling Point: 438.8 °C at 760 mmHg; (22)Vapour Pressure: 1.78E-08 mmHg at 25°C.

Uses of 4-Piperidinecarboxylicacid, 1-benzoyl-: it can be used to produce 1-benzoyl-πperidine-4-carbonyl chloride. This reaction will need reagent SOCl₂ and solvent CHCl₃.

When you are using this chemical, please be cautious about it as the following:
The 4-Piperidinecarboxylicacid, 1-benzoyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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(c1ccccc1)N2CCC(C(=O)O)CC2
(2)InChI: InChI=1/C13H15NO3/c15-12(10-4-2-1-3-5-10)14-8-6-11(7-9-14)13(16)17/h1-5,11H,6-9H2,(H,16,17)
(3)InChIKey: ZTGMNCCDDKBPML-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H15NO3/c15-12(10-4-2-1-3-5-10)14-8-6-11(7-9-14)13(16)17/h1-5,11H,6-9H2,(H,16,17)
(5)Std. InChIKey: ZTGMNCCDDKBPML-UHFFFAOYSA-N