-
Name
(4-FLUORO-PHENYL)-PIPERIDIN-4-YL-METHANOL
- EINECS
- CAS No. 54924-33-3
- Article Data1
- CAS DataBase
- Density 1.141g/cm3
- Solubility
- Melting Point 254-255 °C(Solv: ethyl ether (60-29-7))
- Formula C12H16FNO
- Boiling Point 333.5 °C at 760 mmHg
- Molecular Weight 209.2599432
- Flash Point 155.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (4-FLUORO-PHENYL)-PIPERIDIN-4-YL-METHANOL ;Albb-005737;a-(4-Fluorophenyl)-4-piperidinemethanol HCl
- PSA 32.26000
- LogP 2.18750
4-Piperidinemethanol, a-(4-fluorophenyl)- Specification
The 4-Piperidinemethanol, a-(4-fluorophenyl)-, with CAS registry number 54924-33-3, has the systematic name of (4-fluorophenyl)(piperidin-4-yl)methanol. Besides this, it is also called (4-fluorophenyl)-4-piperidylmethan-1-ol. Its molecular weight is 209.2599432. And the chemical formula of this chemical is C12H16FNO.
Physical properties of 4-Piperidinemethanol, a-(4-fluorophenyl)-: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -1.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 57.1 cm3; (15)Molar Volume: 183.2 cm3; (16)Polarizability: 22.63×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.141 g/cm3; (19)Flash Point: 155.5 °C; (20)Enthalpy of Vaporization: 60.83 kJ/mol; (21)Boiling Point: 333.5 °C at 760 mmHg; (22)Vapour Pressure: 5.4E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(O)C2CCNCC2
(2)InChI: InChI=1/C12H16FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,12,14-15H,5-8H2
(3)InChIKey: GEOSFHFASCZYCA-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-4,10,12,14-15H,5-8H2
(5)Std. InChIKey: GEOSFHFASCZYCA-UHFFFAOYSA-N
Related Products
- 4-Piperidinemethanol
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- 4-Piperidinemethanol,1-[2-(4-fluorophenyl)ethyl]-α-(3-hydroxy-2-methoxyphenyl)-, (αR)-
- 4-Piperidinemethanol,1-thieno[3,2-d]pyrimidin-4-yl-
- 4-Piperidinemethanol,hydrochloride (1:1)
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