16J
Summary
| Name: | [4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone |
| Formula: | C15 H20 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 309.791 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone |
| OpenEye OEToolkits | 1.7.6 | [4-(4-chlorophenyl)piperazin-1-yl]-morpholin-4-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N2CCN(c1ccc(Cl)cc1)CC2)N3CCOCC3 |
| InChI | InChI | 1.03 | InChI=1S/C15H20ClN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2 |
| InChIKey | InChI | 1.03 | KDSIRFZJOTZBPT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccc(cc1)N2CCN(CC2)C(=O)N3CCOCC3 |
| SMILES | CACTVS | 3.370 | Clc1ccc(cc1)N2CCN(CC2)C(=O)N3CCOCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1N2CCN(CC2)C(=O)N3CCOCC3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1N2CCN(CC2)C(=O)N3CCOCC3)Cl |
