M01
Summary
| Name: | 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine |
| Formula: | C11 H16 N6 |
| Formal charge: | 0 |
| Formula weight: | 232.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine |
| OpenEye OEToolkits | 1.5.0 | [1-(9H-purin-6-yl)piperidin-4-yl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2cnc1c(ncn1)c2N3CCC(CC3)CN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCC1CCN(CC1)c2ncnc3[nH]cnc23 |
| SMILES | CACTVS | 3.341 | NCC1CCN(CC1)c2ncnc3[nH]cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)CN |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)CN |
| InChI | InChI | 1.03 | InChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-10(14-6-13-9)15-7-16-11/h6-8H,1-5,12H2,(H,13,14,15,16) |
| InChIKey | InChI | 1.03 | ZUPAKXAQBFFNRP-UHFFFAOYSA-N |
