C139H206F2N22O7 — CID 167535741
2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;4-[4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);bis(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol (PubChem CID 167535741) has the molecular formula C139H206F2N22O7 and a molecular weight of 2335.32 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;4-[4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);bis(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol.
| Compound Name | 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;4-[4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);bis(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol |
|---|---|
| PubChem CID | 167535741 |
| Molecular Formula | C139H206F2N22O7 |
| Molecular Weight | 2335.32 g/mol |
| Exact Mass | 2333.64 |
| IUPAC Name | 2-(4,4-difluoropiperidin-1-yl)-5-propan-2-ylpyridine;N,4-dimethyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-amine;5-(4-ethylpiperidin-1-yl)-2-propan-2-ylpyridine;4-[4-methyl-1-(6-propan-2-yl-3-pyridinyl)piperidin-4-yl]morpholine;tris(1-methyl-3-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);bis(1-methyl-4-(6-propan-2-yl-3-pyridinyl)pyrrolidin-2-one);1-(6-propan-2-yl-3-pyridinyl)piperidin-4-ol |
| SMILES | CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CC(=O)N(C)C2)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(C2CCN(C)C2=O)cn1.CC(C)c1ccc(N2CCC(C)(N3CCOCC3)CC2)cn1.CC(C)c1ccc(N2CCC(F)(F)CC2)nc1.CC(C)c1ccc(N2CCC(O)CC2)cn1.CCC1CCN(c2ccc(C(C)C)nc2)CC1.CNC1(C)CCN(c2ccc(C(C)C)nc2)CC1 |
| InChI | InChI=1S/C18H29N3O.C15H25N3.C15H24N2.C13H18F2N2.5C13H18N2O.C13H20N2O/c1-15(2)17-5-4-16(14-19-17)20-8-6-18(3,7-9-20)21-10-12-22-13-11-21;1-12(2)14-6-5-13(11-17-14)18-9-7-15(3,16-4)8-10-18;1-4-13-7-9-17(10-8-13)14-5-6-15(12(2)3)16-11-14;1-10(2)11-3-4-12(16-9-11)17-7-5-13(14,15)6-8-17;2*1-9(2)12-5-4-10(7-14-12)11-6-13(16)15(3)8-11;3*1-9(2)12-5-4-10(8-14-12)11-6-7-15(3)13(11)16;1-10(2)13-4-3-11(9-14-13)15-7-5-12(16)6-8-15/h4-5,14-15H,6-13H2,1-3H3;5-6,11-12,16H,7-10H2,1-4H3;5-6,11-13H,4,7-10H2,1-3H3;3-4,9-10H,5-8H2,1-2H3;2*4-5,7,9,11H,6,8H2,1-3H3;3*4-5,8-9,11H,6-7H2,1-3H3;3-4,9-10,12,16H,5-8H2,1-2H3 |
| InChIKey | ANQFWMQEQQXBDT-UHFFFAOYSA-N |
| XLogP | 25.87 |
| TPSA | 291.38 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2335.32 |
| LogP ≤ 5 | 25.87 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 24 |