| CAS Number | 1315677-72-5 |
| Catalog Number | AG01FOK4(AGN-PC-3H5NP1) |
| Chemical Name | 3-(3-Methoxyphenoxy)piperidine hydrochloride |
| IUPAC Name | 3-(3-methoxyphenoxy)piperidine;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-14-10-4-2-5-11(8-10)15-12-6-3-7-13-9-12;/h2,4-5,8,12-13H,3,6-7,9H2,1H3;1H |
| InChI Key | ITWKEPJHQPPFIM-UHFFFAOYSA-N |
| MDL Number | MFCD18533522 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | COc1cccc(c1)OC1CCCNC1.Cl |
| Synonyms | 3-(3-Methoxyphenoxy)piperidine hydrochloride,
1315677-72-5,
3-(3-Methoxyphenoxy)piperidine HCl,
902837-25-6,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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