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189192-18-5

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Basic Information
CAS No.: 189192-18-5
Name: (R)-(+)-ALPHA-(3-HYDROXY-2-METHOXYPHENYL)-1-[2-(4-FLUORO-PHENYL)ETHYL]-4-PIPERIDINE METHANOL
Article Data: 4
Molecular Structure:
Molecular Structure of 189192-18-5 ((R)-(+)-ALPHA-(3-HYDROXY-2-METHOXYPHENYL)-1-[2-(4-FLUORO-PHENYL)ETHYL]-4-PIPERIDINE METHANOL)
Formula: C21H26FNO3
Molecular Weight: 359.441
Synonyms: MDL 105725;4-Piperidinemethanol,1-[2-(4-fluorophenyl)ethyl]-α-(3-hydroxy-2-methoxyphenyl)-, (R)-;
Density: 1.202 g/cm3
Boiling Point: 484.628 °C at 760 mmHg
Flash Point: 246.894 °C
Appearance: colourless solid
PSA: 52.93000
LogP: 3.46590
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Specification

The 4-Piperidinemethanol, 1-[2-(4-fluorophenyl)ethyl]-α-(3-hydroxy-2-methoxyphenyl)-, (αR)-, with the CAS registry number 189192-18-5, is also known as 4-Piperidinemethanol, 1-[2-(4-fluorophenyl)ethyl]-α-(3-hydroxy-2-methoxyphenyl)-, (R)-. This chemical's molecular formula is C21H26FNO3 and molecular weight is 359.43. What's more, its systematic name is 2-[(R)-{1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl}(hydroxy)methyl]-6-methoxyphenol.

Physical properties about 4-Piperidinemethanol, 1-[2-(4-fluorophenyl)ethyl]-α-(3-hydroxy-2-methoxyphenyl)-, (αR)- are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 52.93 Å2; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 99.698 cm3; (9)Molar Volume: 298.988 cm3; (10)Polarizability: 39.523×10-24 cm3; (11)Surface Tension: 48.49 dyne/cm; (12)Density: 1.202 g/cm3; (13)Flash Point: 246.894 °C; (14)Enthalpy of Vaporization: 77.852 kJ/mol; (15)Boiling Point: 484.628 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)CCN2CCC(CC2)[C@@H](O)c3cccc(OC)c3O
(2) InChI: InChI=1/C21H26FNO3/c1-26-19-4-2-3-18(21(19)25)20(24)16-10-13-23(14-11-16)12-9-15-5-7-17(22)8-6-15/h2-8,16,20,24-25H,9-14H2,1H3/t20-/m1/s1
(3) InChIKey: YZSZRLIFPOCHSK-HXUWFJFHBH