- 4-Piperidinemethanol
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Cas Database |
| Name |
4-Piperidinemethanol, a-(4-fluorophenyl)- |
EINECS | N/A |
| CAS No. | 54924-33-3 | Density | 1.141g/cm3 |
| PSA | 32.26000 | LogP | 2.18750 |
| Solubility | N/A | 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 | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(4-FLUORO-PHENYL)-PIPERIDIN-4-YL-METHANOL ;Albb-005737;a-(4-Fluorophenyl)-4-piperidinemethanol HCl |
Article Data | 1 |
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
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