| CAS Number | 1017215-27-8 |
| Catalog Number | AG01BT2T |
| Chemical Name | 3-(1,3-thiazol-2-ylmethyl)piperidine |
| IUPAC Name | 2-(piperidin-3-ylmethyl)-1,3-thiazole |
| InChI | InChI=1S/C9H14N2S/c1-2-8(7-10-3-1)6-9-11-4-5-12-9/h4-5,8,10H,1-3,6-7H2 |
| InChI Key | OVWNJEPOYONWQI-UHFFFAOYSA-N |
| MDL Number | MFCD09891854 |
| Molecular Formula | C9H14N2S |
| Molecular Weight | 182.2859 |
| SMILES | C(C1SC=CN=1)C1CNCCC1 |
| Synonyms | 1017215-27-8,
3-[(1,3-thiazol-2-yl)methyl]piperidine,
3-(thiazol-2-ylmethyl)piperidine,
SCHEMBL12324455,
AKOS006310193,
CCG-210143,
3-(1,3-thiazol-2-ylmethyl)piperidine,
DA-16334,
FT-0714592,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.285g/mol |
| Monoisotopic Mass | 182.088g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number