1,3-Piperidinedicarboxylicacid, 1-(9H-fluoren-9-ylmethyl) ester, (3R)- (193693-67-3)

The (R)-1-Fmoc-piperidine-3-carboxylic acid, with the cas registry number of 193693-67-3, has the systematic name of (3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid. And the molecular formula of the chemical is C₂₁H₂₁NO₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.888; (4)ACD/LogD (pH 7.4): 1.087; (5)ACD/BCF (pH 5.5): 51.107; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 288.915; (8)ACD/KOC (pH 7.4): 4.565; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.84 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 95.491 cm³; (15)Molar Volume: 271.734 cm³; (16)Polarizability: 37.855×10^-24cm³; (17)Surface Tension: 56.645 dyne/cm; (18)Density: 1.293 g/cm³; (19)Flash Point: 293.46 °C; (20)Enthalpy of Vaporization: 88.854 kJ/mol; (21)Boiling Point: 561.624 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCC[C@H](C4)C(=O)O
(2)InChI: InChI=1/C21H21NO4/c23-20(24)14-6-5-11-22(12-14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,5-6,11-13H2,(H,23,24)/t14-/m1/s1
(3)InChIKey: FINXGQXNIBNREL-CQSZACIVBJ