Phenol,5-[[(3S,4R)-4-(4-fluorophenyl)-3-piperidinyl]methoxy]-2-methoxy- (112058-89-6)

The systematic name of 4-(4-Fluorophenyl)-3-(4-methoxy-3-hydroxyphenoxymethyl)piperidine is 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2-methoxyphenol. With the CAS registry number 112058-89-6, it is also named as Phenol,5-[[(3S,4R)-4-(4-fluorophenyl)-3-piperidinyl]methoxy]-2-methoxy-. The product's category is paroxetine. In addition, its molecular formula is C₁₉H₂₂FNO₃ and its molecular weight is 331.38. 

The other characteristics of 4-(4-Fluorophenyl)-3-(4-methoxy-3-hydroxyphenoxymethyl)piperidine can be summarized as: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.07; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.02; (8)ACD/KOC (pH 7.4): 2.45; (9)H bond acceptors: 4; (10)H bond donors: 2; (11)Freely Rotating Bonds: 6; (12)Polar Surface Area: 50.72 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 90.34 cm³; (15)Molar Volume: 282.7 cm³; (16)Polarizability: 35.81×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.171 g/cm³; (19)Flash Point: 249.5 °C; (20)Enthalpy of Vaporization: 78.38 kJ/mol; (21)Boiling Point: 488.9 °C at 760 mmHg; (22)Vapour Pressure: 3.5E-10 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:COc1ccc(cc1O)OC[C@@H]2CNCC[C@H]2c3ccc(cc3)F
(2)InChI:InChI=1/C19H22FNO3/c1-23-19-7-6-16(10-18(19)22)24-12-14-11-21-9-8-17(14)13-2-4-15(20)5-3-13/h2-7,10,14,17,21-22H,8-9,11-12H2,1H3/t14-,17-/m0/s1
(3)InChIKey:HEJVUVGUVCOISV-YOEHRIQHBD
(4)Std. InChI:InChI=1S/C19H22FNO3/c1-23-19-7-6-16(10-18(19)22)24-12-14-11-21-9-8-17(14)13-2-4-15(20)5-3-13/h2-7,10,14,17,21-22H,8-9,11-12H2,1H3/t14-,17-/m0/s1
(5)Std. InChIKey:HEJVUVGUVCOISV-YOEHRIQHSA-N