| CAS Number | 1172742-77-6 |
| Catalog Number | AG008SM3 |
| Chemical Name | 3-(3-Fluoro-4-methoxy-benzyl)-piperidine hydrochloride |
| IUPAC Name | 3-[(3-fluoro-4-methoxyphenyl)methyl]piperidine;hydrochloride |
| InChI | InChI=1S/C13H18FNO.ClH/c1-16-13-5-4-10(8-12(13)14)7-11-3-2-6-15-9-11;/h4-5,8,11,15H,2-3,6-7,9H2,1H3;1H |
| InChI Key | PPXMNUJKNKJFGK-UHFFFAOYSA-N |
| MDL Number | MFCD08751317 |
| Molecular Formula | C13H19ClFNO |
| Molecular Weight | 259.7475 |
| SMILES | COC1=C(C=C(C=C1)CC2CCCNC2)F.Cl |
| Synonyms | 3-(3-Fluoro-4-methoxy-benzyl)-piperidine hydrochloride,
1172742-77-6,
DTXSID20588815,
MFCD08751317,
AB48867,
PC404529,
T6222,
3-(3-fluoro-4-methoxybenzyl)piperidine hydrochloride,
3-[(3-Fluoro-4-methoxyphenyl)methyl]piperidine--hydrogen chloride (1/1),
|
| 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
Certificate of Analysis
Lot Number