C164H267F5N34O11 — CID 157355381
1-[(6-tert-butyl-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;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-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;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine (PubChem CID 157355381) has the molecular formula C164H267F5N34O11 and a molecular weight of 2986.16 g/mol. Its IUPAC name is 1-[(6-tert-butyl-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;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-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;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine.
| Compound Name | 1-[(6-tert-butyl-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;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-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;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine |
|---|---|
| PubChem CID | 157355381 |
| Molecular Formula | C164H267F5N34O11 |
| Molecular Weight | 2986.16 g/mol |
| Exact Mass | 2984.13 |
| IUPAC Name | 1-[(6-tert-butyl-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;N,N-dimethyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine;1-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-4-propan-2-ylpiperazine;1-[(6-methoxy-2-methyl-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;4-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylpiperazin-2-one;1-propan-2-yl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperazine |
| SMILES | CC(C)N1CCN(Cc2ccc(C(C)(C)C)nc2)CC1.CC(C)N1CCN(Cc2ccc(C(F)(F)F)nc2)CC1.CC(C)N1CCN(Cc2ccc(N(C)C)nc2)CC1.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)C(=O)C2)cn1.COc1ccc(CN2CCN(C(C)C)CC2)c(C)n1.COc1ccc(CN2CCN(C(C)C)CC2)c(OC)n1.COc1ncc(CN2CCN(C(C)C)CC2)cc1C.COc1ncc(CN2CCN(C(C)C)CC2)cc1F |
| InChI | InChI=1S/C17H29N3.C15H24FN3O.C15H26N4.2C15H25N3O2.3C15H25N3O.C14H20F3N3.C14H22FN3O.C14H21N3O2/c1-14(2)20-10-8-19(9-11-20)13-15-6-7-16(18-12-15)17(3,4)5;1-4-20-15-14(16)9-13(10-17-15)11-18-5-7-19(8-6-18)12(2)3;1-13(2)19-9-7-18(8-10-19)12-14-5-6-15(16-11-14)17(3)4;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;1-12(2)18-9-7-17(8-10-18)11-14-5-6-15(19-4)16-13(14)3;1-11(2)20-7-5-19(6-8-20)10-12-3-4-13(18-9-12)14(15,16)17;1-11(2)18-6-4-17(5-7-18)10-12-8-13(15)14(19-3)16-9-12;1-11(2)17-7-6-16(10-14(17)18)9-12-4-5-13(19-3)15-8-12/h6-7,12,14H,8-11,13H2,1-5H3;9-10,12H,4-8,11H2,1-3H3;5-6,11,13H,7-10,12H2,1-4H3;9-10,12H,5-8,11H2,1-4H3;5-6,12H,7-11H2,1-4H3;2*9-10,12H,5-8,11H2,1-4H3;5-6,12H,7-11H2,1-4H3;3-4,9,11H,5-8,10H2,1-2H3;8-9,11H,4-7,10H2,1-3H3;4-5,8,11H,6-7,9-10H2,1-3H3 |
| InChIKey | BIADSWKGLTYRDI-UHFFFAOYSA-N |
| XLogP | 21.27 |
| TPSA | 325.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 214 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2986.16 |
| LogP ≤ 5 | 21.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 44 |