JHA
Summary
| Name: | 3-chloro-4-(4-methylpiperidin-1-yl)aniline |
| Formula: | C12 H17 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 224.73 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-chloro-4-(4-methylpiperidin-1-yl)aniline |
| OpenEye OEToolkits | 2.0.6 | 3-chloranyl-4-(4-methylpiperidin-1-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(c(cc1N)Cl)N2CCC(C)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C12H17ClN2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7,14H2,1H3 |
| InChIKey | InChI | 1.03 | KDGRQSQBUKTTMH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1CCN(CC1)c2ccc(N)cc2Cl |
| SMILES | CACTVS | 3.385 | CC1CCN(CC1)c2ccc(N)cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1CCN(CC1)c2ccc(cc2Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1CCN(CC1)c2ccc(cc2Cl)N |
