O3J
Summary
| Name: | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one |
| Formula: | C15 H22 N2 O |
| Formal charge: | 0 |
| Formula weight: | 246.348 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.6 | 1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(CCCc1ccccc1)CCN(C(C)=O)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C15H22N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7H,5,8-13H2,1H3 |
| InChIKey | InChI | 1.03 | XQYKCRQRBYLELO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CCCc2ccccc2)CC1 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CCCc2ccccc2)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC1)CCCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N1CCN(CC1)CCCc2ccccc2 |
