UL7
Summary
| Name: | 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol] |
| Formula: | C17 H24 Br Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 403.742 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 1-[1-[(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-4-yl]piperidin-4-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H24BrClN2O2/c18-16-10-13(19)9-12(17(16)23)11-20-5-1-14(2-6-20)21-7-3-15(22)4-8-21/h9-10,14-15,22-23H,1-8,11H2 |
| InChIKey | InChI | 1.03 | UPKDBIXMTVKMCL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1CCN(CC1)C2CCN(CC2)Cc3cc(Cl)cc(Br)c3O |
| SMILES | CACTVS | 3.385 | OC1CCN(CC1)C2CCN(CC2)Cc3cc(Cl)cc(Br)c3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)Cl |
