A1BFT
Summary
| Name: | (3S,4S)-3-methoxy-4-methyl-1-[(1,3-thiazol-5-yl)methyl]piperidine |
| Formula: | C11 H18 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 226.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S,4S)-3-methoxy-4-methyl-1-[(1,3-thiazol-5-yl)methyl]piperidine |
| OpenEye OEToolkits | 3.1.0.0 | 5-[[(3~{R},4~{R})-3-methoxy-4-methyl-piperidin-1-yl]methyl]-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1CCN(CC1OC)Cc1cncs1 |
| InChI | InChI | 1.06 | InChI=1S/C11H18N2OS/c1-9-3-4-13(7-11(9)14-2)6-10-5-12-8-15-10/h5,8-9,11H,3-4,6-7H2,1-2H3 |
| InChIKey | InChI | 1.06 | UXYBJSJEXNRBGO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1CN(CC[C@H]1C)Cc2scnc2 |
| SMILES | CACTVS | 3.385 | CO[CH]1CN(CC[CH]1C)Cc2scnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]1CCN(C[C@@H]1OC)Cc2cncs2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CCN(CC1OC)Cc2cncs2 |
