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Home > Fluorides > 125224-43-3
125224-43-3 | 3-Piperidinemethanol, 4-(4-fluorophenyl)-, (3S,4R)-
CAS No: 125224-43-3 Catalog No: AG000NDK MDL No:MFCD03839921
Product Description
Catalog Number:
AG000NDK
Chemical Name:
3-Piperidinemethanol, 4-(4-fluorophenyl)-, (3S,4R)-
CAS Number:
125224-43-3
Molecular Formula:
C12H16FNO
Molecular Weight:
209.2599
MDL Number:
MFCD03839921
IUPAC Name:
[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol
InChI:
InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10-,12-/m0/s1
InChI Key:
IBOPBHBOBJYXTD-JQWIXIFHSA-N
SMILES:
OC[C@@H]1CNCC[C@H]1c1ccc(cc1)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
209.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.264g/mol
Monoisotopic Mass:
209.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| (3S,4R)-4-(4-Fluoro-phen-yl)-3-(hydroxy-meth-yl)piperidinium chloride. | Acta crystallographica. Section E, Structure reports online 20080501 |
| Synthesis of the major metabolites of paroxetine. | Bioorganic chemistry 20030601 |
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