QKV
Summary
| Name: | (6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol |
| Formula: | C13 H16 Br N O3 |
| Formal charge: | 0 |
| Formula weight: | 314.175 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol |
| OpenEye OEToolkits | 1.7.0 | (6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2ccc1OC3(OCc1c2)CCN(CO)CC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | OCN1CCC2(CC1)OCc3cc(Br)ccc3O2 |
| SMILES | CACTVS | 3.370 | OCN1CCC2(CC1)OCc3cc(Br)ccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Br)COC3(O2)CCN(CC3)CO |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Br)COC3(O2)CCN(CC3)CO |
| InChI | InChI | 1.03 | InChI=1S/C13H16BrNO3/c14-11-1-2-12-10(7-11)8-17-13(18-12)3-5-15(9-16)6-4-13/h1-2,7,16H,3-6,8-9H2 |
| InChIKey | InChI | 1.03 | VLYIBJZWDPQNBB-UHFFFAOYSA-N |
