C157H213ClF6N20O14 — CID 162041692
2-[2-[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2,4-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]-2-pyridinyl]ethyl]piperidin-4-ol;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine (PubChem CID 162041692) has the molecular formula C157H213ClF6N20O14 and a molecular weight of 2754.00 g/mol. Its IUPAC name is 2-[2-[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2,4-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]-2-pyridinyl]ethyl]piperidin-4-ol;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine.
| Compound Name | 2-[2-[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2,4-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]-2-pyridinyl]ethyl]piperidin-4-ol;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine |
|---|---|
| PubChem CID | 162041692 |
| Molecular Formula | C157H213ClF6N20O14 |
| Molecular Weight | 2754.00 g/mol |
| Exact Mass | 2751.62 |
| IUPAC Name | 2-[2-[4-[(2-chlorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2,4-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]-2-pyridinyl]ethyl]piperidin-4-ol;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine |
| SMILES | CC(C)(C)Oc1cccc(CCN2CCC(O)(COc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(/C=C/c3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3ccc(F)cc3F)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3cccc(F)c3)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3ccccc3Cl)CC2)n1.CC(C)(C)Oc1cncc(CCN2CCC(COc3ccccc3F)CC2)n1.Cc1ccccc1OCC1CCN(CCc2cncc(OC(C)(C)C)n2)CC1 |
| InChI | InChI=1S/C23H30FN3O.C23H31FN2O3.C23H33N3O2.C22H30ClN3O2.C22H29F2N3O2.2C22H30FN3O2/c1-23(2,3)28-22-17-25-16-20(26-22)12-15-27-13-10-18(11-14-27)8-9-19-6-4-5-7-21(19)24;1-22(2,3)29-21-10-6-7-18(25-21)11-14-26-15-12-23(27,13-16-26)17-28-20-9-5-4-8-19(20)24;1-18-7-5-6-8-21(18)27-17-19-9-12-26(13-10-19)14-11-20-15-24-16-22(25-20)28-23(2,3)4;1-22(2,3)28-21-15-24-14-18(25-21)10-13-26-11-8-17(9-12-26)16-27-20-7-5-4-6-19(20)23;1-22(2,3)29-21-14-25-13-18(26-21)8-11-27-9-6-16(7-10-27)15-28-20-5-4-17(23)12-19(20)24;1-22(2,3)28-21-15-24-14-19(25-21)9-12-26-10-7-17(8-11-26)16-27-20-6-4-5-18(23)13-20;1-22(2,3)28-21-15-24-14-18(25-21)10-13-26-11-8-17(9-12-26)16-27-20-7-5-4-6-19(20)23/h4-9,16-18H,10-15H2,1-3H3;4-10,27H,11-17H2,1-3H3;5-8,15-16,19H,9-14,17H2,1-4H3;4-7,14-15,17H,8-13,16H2,1-3H3;4-5,12-14,16H,6-11,15H2,1-3H3;4-6,13-15,17H,7-12,16H2,1-3H3;4-7,14-15,17H,8-13,16H2,1-3H3/b9-8+;;;;;; |
| InChIKey | YXJBEBYJUAUYCD-HPBBOWEFSA-N |
| XLogP | 30.06 |
| TPSA | 330.47 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 198 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2754.00 |
| LogP ≤ 5 | 30.06 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 34 |