| CAS Number | 1171578-73-6 |
| Catalog Number | AG000DT4(AGN-PC-01A9BT) |
| Chemical Name | 4-(3-Fluoro-4-methoxy-benzyl)-piperidine hydrochloride |
| IUPAC Name | 4-[(3-fluoro-4-methoxyphenyl)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C13H18FNO.ClH/c1-16-13-3-2-11(9-12(13)14)8-10-4-6-15-7-5-10;/h2-3,9-10,15H,4-8H2,1H3;1H |
| InChI Key | KVRUPCCEMZAYJN-UHFFFAOYSA-N |
| MDL Number | MFCD08751316 |
| Molecular Formula | C13H19ClFNO |
| Molecular Weight | 259.7475 |
| SMILES | Cl.COC1=C(F)C=C(CC2CCNCC2)C=C1 |
| Synonyms | 4-(3-Fluoro-4-methoxy-benzyl)-piperidine hydrochloride,
1171578-73-6,
SCHEMBL18280068,
DTXSID50588787,
BP019,
MFCD08751316,
AKOS025149349,
AB48863,
PC404519,
T6208,
4-(3-Fluoro-4-methoxybenzyl)piperidine hydrochloride,
4-[(3-Fluoro-4-methoxyphenyl)methyl]piperidine--hydrogen chloride (1/1),
Piperidine, 4-[(3-fluoro-4-methoxyphenyl)methyl]-, hydrochloride (1:1),
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| Complexity | 206 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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