C135H180F8N18O13 — CID 158577090
2-[2-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]piperidin-4-ol;2-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenoxy)-7-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]-7-azaspiro[3.5]nonane;1-(2-fluorophenyl)-2-[1-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]piperidin-4-yl]ethanone (PubChem CID 158577090) has the molecular formula C135H180F8N18O13 and a molecular weight of 2415.02 g/mol. Its IUPAC name is 2-[2-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]piperidin-4-ol;2-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenoxy)-7-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]-7-azaspiro[3.5]nonane;1-(2-fluorophenyl)-2-[1-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]piperidin-4-yl]ethanone.
| Compound Name | 2-[2-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]piperidin-4-ol;2-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenoxy)-7-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]-7-azaspiro[3.5]nonane;1-(2-fluorophenyl)-2-[1-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]piperidin-4-yl]ethanone |
|---|---|
| PubChem CID | 158577090 |
| Molecular Formula | C135H180F8N18O13 |
| Molecular Weight | 2415.02 g/mol |
| Exact Mass | 2413.38 |
| IUPAC Name | 2-[2-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2,6-difluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;4-[(2-fluorophenoxy)methyl]-1-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]piperidin-4-ol;2-[2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenoxy)-7-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]-7-azaspiro[3.5]nonane;1-(2-fluorophenyl)-2-[1-[2-[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]ethyl]piperidin-4-yl]ethanone |
| SMILES | CC(C)(C)Oc1cncc(CCN2CCC(CC(=O)c3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3c(F)cccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3cc(F)ccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(O)(COc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC3(CC2)CC(Oc2ccccc2F)C3)n1.CC(C)(C)Oc1cncc(CCN2CCCC(COc3ccccc3F)C2)n1 |
| InChI | InChI=1S/C24H32FN3O2.C23H30FN3O2.2C22H29F2N3O2.C22H30FN3O3.C22H30FN3O2/c1-23(2,3)30-22-17-26-16-18(27-22)8-11-28-12-9-24(10-13-28)14-19(15-24)29-21-7-5-4-6-20(21)25;1-23(2,3)29-22-16-25-15-18(26-22)10-13-27-11-8-17(9-12-27)14-21(28)19-6-4-5-7-20(19)24;1-22(2,3)29-21-14-25-13-18(26-21)8-11-27-9-6-16(7-10-27)15-28-20-12-17(23)4-5-19(20)24;1-22(2,3)29-20-14-25-13-17(26-20)9-12-27-10-7-16(8-11-27)15-28-21-18(23)5-4-6-19(21)24;1-21(2,3)29-20-15-24-14-17(25-20)8-11-26-12-9-22(27,10-13-26)16-28-19-7-5-4-6-18(19)23;1-22(2,3)28-21-14-24-13-18(25-21)10-12-26-11-6-7-17(15-26)16-27-20-9-5-4-8-19(20)23/h4-7,16-17,19H,8-15H2,1-3H3;4-7,15-17H,8-14H2,1-3H3;4-5,12-14,16H,6-11,15H2,1-3H3;4-6,13-14,16H,7-12,15H2,1-3H3;4-7,14-15,27H,8-13,16H2,1-3H3;4-5,8-9,13-14,17H,6-7,10-12,15-16H2,1-3H3 |
| InChIKey | HSUHYMTUBDMPDI-UHFFFAOYSA-N |
| XLogP | 24.88 |
| TPSA | 312.95 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 174 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2415.02 |
| LogP ≤ 5 | 24.88 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 31 |