| CAS Number | 101769-01-1 |
| Catalog Number | AG01ATN1(AGN-PC-00N9WJ) |
| Chemical Name | 4-(4-Methoxybenzenesulfonyl)piperidine |
| IUPAC Name | 4-(4-methoxyphenyl)sulfonylpiperidine |
| InChI | InChI=1S/C12H17NO3S/c1-16-10-2-4-11(5-3-10)17(14,15)12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3 |
| InChI Key | JMPBLOVCCHRJPM-UHFFFAOYSA-N |
| MDL Number | MFCD15526094 |
| Molecular Formula | C12H17NO3S |
| Molecular Weight | 255.3333 |
| SMILES | COC1=CC=C(S(C2CCNCC2)(=O)=O)C=C1 |
| Synonyms | 4-(4-METHOXY-BENZENESULFONYL)-PIPERIDINE,
101769-01-1,
SCHEMBL10795088,
ZINC34103802,
IMED2041935176,
MCULE-2100889888,
SC-56218,
EN300-242241,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.332g/mol |
| Monoisotopic Mass | 255.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number