| CAS Number | 1170364-71-2 |
| Catalog Number | AG000DLQ(AGN-PC-01A9D9) |
| Chemical Name | 2-(3-Fluoro-4-methoxy-benzyl)-piperidine hydrochloride |
| IUPAC Name | 2-[(3-fluoro-4-methoxyphenyl)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C13H18FNO.ClH/c1-16-13-6-5-10(9-12(13)14)8-11-4-2-3-7-15-11;/h5-6,9,11,15H,2-4,7-8H2,1H3;1H |
| InChI Key | MXUIXMWQPZZGDH-UHFFFAOYSA-N |
| MDL Number | MFCD08669729 |
| Molecular Formula | C13H19ClFNO |
| Molecular Weight | 259.7475 |
| SMILES | COc1ccc(cc1F)CC1CCCCN1.Cl |
| Synonyms | 2-(3-Fluoro-4-methoxy-benzyl)-piperidine hydrochloride,
1170364-71-2,
CTK8E3371,
DTXSID40588837,
BP069,
MFCD08669729,
AKOS027384707,
AB46059,
PC404532,
RT-016476,
T6190,
2-(3-Fluoro-4-methoxybenzyl)piperidine hydrochloride,
2-[(3-Fluoro-4-methoxyphenyl)methyl]piperidine--hydrogen chloride (1/1),
Piperidine, 2-[(3-fluoro-4-methoxyphenyl)methyl]-, hydrochloride (1:1),
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.749g/mol |
| Monoisotopic Mass | 259.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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