1-Piperidinecarboxylicacid, 4-(2-fluorophenoxy)-, 1,1-dimethylethyl ester (944808-08-6)

The systematic name of 4-(2-Fluorophenoxy)-1-piperidinecarboxylic acid tert-butyl ester is tert-butyl 4-(2-fluorophenoxy)piperidine-1-carboxylate. With the CAS registry number 944808-08-6, it is also named as 1-Piperidinecarboxylicacid, 4-(2-fluorophenoxy)-, 1,1-dimethylethyl ester. The product's molecular formula is C₁₆H₂₂FNO₃ and its molecular weight is 295.35. 

The other characteristics of 4-(2-Fluorophenoxy)-1-piperidinecarboxylic acid tert-butyl ester can be summarized as: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 173.01; (6)ACD/BCF (pH 7.4): 173.01; (7)ACD/KOC (pH 5.5): 1391.94; (8)ACD/KOC (pH 7.4): 1391.94; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 77.72 cm³; (15)Molar Volume: 258.3 cm³; (16)Polarizability: 30.81×10^-24cm³; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.143 g/cm³; (19)Flash Point: 184.9 °C; (20)Enthalpy of Vaporization: 63.04 kJ/mol; (21)Boiling Point: 382 °C at 760 mmHg; (22)Vapour Pressure: 4.86E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccccc2F
(2)InChI:InChI=1/C16H22FNO3/c1-16(2,3)21-15(19)18-10-8-12(9-11-18)20-14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3
(3)InChIKey:VACFTPDKTBMOKP-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C16H22FNO3/c1-16(2,3)21-15(19)18-10-8-12(9-11-18)20-14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3
(5)Std. InChIKey:VACFTPDKTBMOKP-UHFFFAOYSA-N