C133H173F6N19O12 — CID 158232625
2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine (PubChem CID 158232625) has the molecular formula C133H173F6N19O12 and a molecular weight of 2343.96 g/mol. Its IUPAC name is 2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine.
| Compound Name | 2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine |
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| PubChem CID | 158232625 |
| Molecular Formula | C133H173F6N19O12 |
| Molecular Weight | 2343.96 g/mol |
| Exact Mass | 2342.34 |
| IUPAC Name | 2-[[4-[(2,4-difluorophenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethynyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzonitrile;2-[(2-methylpropan-2-yl)oxy]-3-[[4-[[2-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]methyl]pyrazine |
| SMILES | CC(C)(C)Oc1nccnc1CN1CCC(C#Cc2ccccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccc(F)cc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2C#N)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COc2ccccc2OC(F)(F)F)CC1.CCOc1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1.Cc1ccccc1/C=C/C1CCN(Cc2nccnc2OC(C)(C)C)CC1 |
| InChI | InChI=1S/C23H33N3O3.C23H31N3O.C22H28F3N3O3.C22H26FN3O.C22H28N4O2.C21H27F2N3O2/c1-5-27-20-8-6-7-9-21(20)28-17-18-10-14-26(15-11-18)16-19-22(25-13-12-24-19)29-23(2,3)4;1-18-7-5-6-8-20(18)10-9-19-11-15-26(16-12-19)17-21-22(25-14-13-24-21)27-23(2,3)4;1-21(2,3)31-20-17(26-10-11-27-20)14-28-12-8-16(9-13-28)15-29-18-6-4-5-7-19(18)30-22(23,24)25;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;1-22(2,3)28-21-19(24-10-11-25-21)15-26-12-8-17(9-13-26)16-27-20-7-5-4-6-18(20)14-23;1-21(2,3)28-20-18(24-8-9-25-20)13-26-10-6-15(7-11-26)14-27-19-5-4-16(22)12-17(19)23/h6-9,12-13,18H,5,10-11,14-17H2,1-4H3;5-10,13-14,19H,11-12,15-17H2,1-4H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,12-13,17H,10-11,14-16H2,1-3H3;4-7,10-11,17H,8-9,12-13,15-16H2,1-3H3;4-5,8-9,12,15H,6-7,10-11,13-14H2,1-3H3/b;10-9+;;;; |
| InChIKey | GEOIZEZYXHURSM-JKMBZFSLSA-N |
| XLogP | 26.17 |
| TPSA | 308.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2343.96 |
| LogP ≤ 5 | 26.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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