C136H174F6N18O11 — CID 158534609
2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine (PubChem CID 158534609) has the molecular formula C136H174F6N18O11 and a molecular weight of 2350.99 g/mol. Its IUPAC name is 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine.
| Compound Name | 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine |
|---|---|
| PubChem CID | 158534609 |
| Molecular Formula | C136H174F6N18O11 |
| Molecular Weight | 2350.99 g/mol |
| Exact Mass | 2349.35 |
| IUPAC Name | 2-[[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]quinoxaline;2-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone;2-[(2-methylpropan-2-yl)oxy]-3-[[4-(phenoxymethyl)piperidin-1-yl]methyl]pyrazine |
| SMILES | CC(C)(C)Oc1nc2ccccc2nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.CC(C)(C)Oc1nc2ccccc2nc1CN1CCC(COc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CCc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2c(F)cccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccc(F)cc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2)CC1 |
| InChI | InChI=1S/C26H30FN3O2.C25H30FN3O2.C22H30FN3O.C21H27F2N3O2.C21H28FN3O2.C21H29N3O2/c1-26(2,3)32-25-23(28-21-10-6-7-11-22(21)29-25)17-30-14-12-18(13-15-30)24(31)16-19-8-4-5-9-20(19)27;1-25(2,3)31-24-22(27-20-9-5-6-10-21(20)28-24)16-29-14-12-18(13-15-29)17-30-23-11-7-4-8-19(23)26;1-22(2,3)27-21-20(24-12-13-25-21)16-26-14-10-17(11-15-26)8-9-18-6-4-5-7-19(18)23;1-21(2,3)28-20-18(24-9-10-25-20)13-26-11-7-15(8-12-26)14-27-19-16(22)5-4-6-17(19)23;1-21(2,3)27-20-19(23-10-11-24-20)14-25-12-8-16(9-13-25)15-26-18-6-4-17(22)5-7-18;1-21(2,3)26-20-19(22-11-12-23-20)15-24-13-9-17(10-14-24)16-25-18-7-5-4-6-8-18/h4-11,18H,12-17H2,1-3H3;4-11,18H,12-17H2,1-3H3;4-7,12-13,17H,8-11,14-16H2,1-3H3;4-6,9-10,15H,7-8,11-14H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-8,11-12,17H,9-10,13-16H2,1-3H3 |
| InChIKey | HNUCAMCNPDWBSG-UHFFFAOYSA-N |
| XLogP | 27.10 |
| TPSA | 283.49 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2350.99 |
| LogP ≤ 5 | 27.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |