C150H245ClFN31O11 — CID 158014571
1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-dimethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5,6-dimethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-4-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine (PubChem CID 158014571) has the molecular formula C150H245ClFN31O11 and a molecular weight of 2713.27 g/mol. Its IUPAC name is 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-dimethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5,6-dimethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-4-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine.
| Compound Name | 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-dimethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5,6-dimethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-4-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine |
|---|---|
| PubChem CID | 158014571 |
| Molecular Formula | C150H245ClFN31O11 |
| Molecular Weight | 2713.27 g/mol |
| Exact Mass | 2710.92 |
| IUPAC Name | 1-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(2,6-dimethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5,6-dimethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-ethoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-4-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-5-methyl-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbonitrile;2-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-2-ol;1-propan-2-yl-4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazine |
| SMILES | CC(C)N1CCN(Cc2ccc(C#N)nc2)CC1.CC(C)N1CCN(Cc2ccc(C(C)(C)O)nc2)CC1.CC(C)Oc1ccc(CN2CCN(C(C)C)CC2)cn1.CCOc1ccc(CN2CCN(C(C)C)CC2)cn1.CCOc1ncc(CN2CCN(C(C)C)CC2)cc1F.COc1cc(C)c(CN2CCN(C(C)C)CC2)cn1.COc1cc(CN2CCN(C(C)C)CC2)cnc1OC.COc1ccc(CN2CCN(C(C)C)CC2)c(OC)n1.COc1ncc(CN2CCN(C(C)C)CC2)cc1C.COc1ncc(CN2CCN(C(C)C)CC2)cc1Cl |
| InChI | InChI=1S/2C16H27N3O.C15H24FN3O.2C15H25N3O2.3C15H25N3O.C14H22ClN3O.C14H20N4/c1-13(2)19-9-7-18(8-10-19)12-14-5-6-15(17-11-14)16(3,4)20;1-13(2)19-9-7-18(8-10-19)12-15-5-6-16(17-11-15)20-14(3)4;1-4-20-15-14(16)9-13(10-17-15)11-18-5-7-19(8-6-18)12(2)3;1-12(2)18-7-5-17(6-8-18)11-13-9-14(19-3)15(20-4)16-10-13;1-12(2)18-9-7-17(8-10-18)11-13-5-6-14(19-3)16-15(13)20-4;1-12(2)18-7-5-17(6-8-18)11-14-10-16-15(19-4)9-13(14)3;1-12(2)18-7-5-17(6-8-18)11-14-9-13(3)15(19-4)16-10-14;1-4-19-15-6-5-14(11-16-15)12-17-7-9-18(10-8-17)13(2)3;1-11(2)18-6-4-17(5-7-18)10-12-8-13(15)14(19-3)16-9-12;1-12(2)18-7-5-17(6-8-18)11-13-3-4-14(9-15)16-10-13/h5-6,11,13,20H,7-10,12H2,1-4H3;5-6,11,13-14H,7-10,12H2,1-4H3;9-10,12H,4-8,11H2,1-3H3;9-10,12H,5-8,11H2,1-4H3;5-6,12H,7-11H2,1-4H3;2*9-10,12H,5-8,11H2,1-4H3;5-6,11,13H,4,7-10,12H2,1-3H3;8-9,11H,4-7,10H2,1-3H3;3-4,10,12H,5-8,11H2,1-2H3 |
| InChIKey | FFHLSLUTWQOASM-UHFFFAOYSA-N |
| XLogP | 19.23 |
| TPSA | 330.02 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 194 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2713.27 |
| LogP ≤ 5 | 19.23 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 42 |