| CAS Number | 213886-99-8 |
| Catalog Number | AG00I44J(AGN-PC-0WG3S6) |
| Chemical Name | 4-(3-Methoxybenzoyl)piperidine hydrochloride |
| IUPAC Name | (3-methoxyphenyl)-piperidin-4-ylmethanone;hydrochloride |
| InChI | InChI=1S/C13H17NO2.ClH/c1-16-12-4-2-3-11(9-12)13(15)10-5-7-14-8-6-10;/h2-4,9-10,14H,5-8H2,1H3;1H |
| InChI Key | RUIWLSGNJCRSRB-UHFFFAOYSA-N |
| MDL Number | MFCD11846279 |
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.7405 |
| SMILES | Cl.COc1cccc(c1)C(=O)C1CCNCC1 |
| Synonyms | 213886-99-8,
4-(3-Methoxybenzoyl)piperidine HCl,
(3-Methoxyphenyl)(piperidin-4-yl)methanone hydrochloride,
4-(3-METHOXYBENZOYL)PIPERIDINE HYDROCHLORIDE,
SCHEMBL16432038,
RUIWLSGNJCRSRB-UHFFFAOYSA-N,
MFCD11846279,
CS-0035475,
(3-methoxy-phenyl)-piperidin-4-yl-methanone hydrochloride,
(3-methoxyphenyl)-piperidin-4-ylmethanone;hydrochloride,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.742g/mol |
| Monoisotopic Mass | 255.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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