| CAS Number | 792927-06-1 |
| Catalog Number | AG01EPMQ(AGN-PC-3H470I) |
| Chemical Name | 1'-[(4-methoxyphenyl)sulfonyl]-4-methyl-1,4'-bipiperidine |
| IUPAC Name | 1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine |
| InChI | InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)16-9-13-20(14-10-16)24(21,22)18-5-3-17(23-2)4-6-18/h3-6,15-16H,7-14H2,1-2H3 |
| InChI Key | XCBHYDPDIJQQGM-UHFFFAOYSA-N |
| MDL Number | MFCD12197381 |
| Molecular Formula | C18H28N2O3S |
| Molecular Weight | 352.4915 |
| SMILES | CC1CCN(C2CCN(S(C3=CC=C(OC)C=C3)(=O)=O)CC2)CC1 |
| Synonyms | 1'-[(4-methoxyphenyl)sulfonyl]-4-methyl-1,4'-bipiperidine,
1'-((4-methoxyphenyl)sulfonyl)-4-methyl-1,4'-bipiperidine,
AC1LPCQQ,
SCHEMBL17007497,
XCBHYDPDIJQQGM-UHFFFAOYSA-N,
ZINC4744379,
STK193520,
AKOS003649063,
MCULE-6685404683,
AT-057/43468793,
1-[(4-methoxyphenyl)sulfonyl]-4'-methyl-4,1'-bipiperidine,
1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine,
792927-06-1,
CID1329829,
1-[1-(4-methoxyphenyl)sulfonyl-4-piperidyl]-4-methyl-piperidine,
|
| Complexity | 481 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.182g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.493g/mol |
| Monoisotopic Mass | 352.182g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number