| CAS Number | 1017184-56-3 |
| Catalog Number | AG01C3UE |
| Chemical Name | 2-(Piperidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole |
| IUPAC Name | 2-piperidin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole |
| InChI | InChI=1S/C12H18N2S/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h9,13H,1-8H2 |
| InChI Key | PNQVNSYQUPHCMF-UHFFFAOYSA-N |
| MDL Number | MFCD09891555 |
| Molecular Formula | C12H18N2S |
| Molecular Weight | 222.3497 |
| SMILES | C1CC2=C(SC(C3CCNCC3)=N2)CC1 |
| Synonyms | 2-(piperidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazole,
1017184-56-3,
ZINC11632073,
AKOS011832298,
MCULE-4838498153,
NS-02726,
Z2353496671,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.35g/mol |
| Monoisotopic Mass | 222.119g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number