| CAS Number | 259874-95-8 |
| Catalog Number | AG00I4YA(AGN-PC-0WG3XS) |
| Chemical Name | (1-[(4-Methylbenzene)sulfonyl]piperidin-2-yl)methanol |
| IUPAC Name | [1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanol |
| InChI | InChI=1S/C13H19NO3S/c1-11-5-7-13(8-6-11)18(16,17)14-9-3-2-4-12(14)10-15/h5-8,12,15H,2-4,9-10H2,1H3 |
| InChI Key | NYMSIVGSVMZGRH-UHFFFAOYSA-N |
| MDL Number | MFCD01185747 |
| Molecular Formula | C13H19NO3S |
| Molecular Weight | 269.3599 |
| SMILES | OCC1CCCCN1S(=O)(=O)c1ccc(cc1)C |
| Synonyms | 259874-95-8,
(1-Tosylpiperidin-2-yl)methanol,
(1-[(4-Methylbenzene)sulfonyl]piperidin-2-yl)methanol,
AC1MOFY4,
Oprea1_818334,
[1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanol,
1-Tosyl-piperidine-2-methanol,
SCHEMBL10282723,
MFCD01185747,
CID3319699,
[1-(4-methylphenyl)sulfonyl-2-piperidyl]methanol,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.359g/mol |
| Monoisotopic Mass | 269.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number