C191H293FN24O2 — CID 157109201
2-(4-but-3-ynylpiperidin-1-yl)-5-propan-2-ylpyridine;ethane;2-(3-ethylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(3-ethylpyrrolidin-1-yl)-5-propan-2-ylpyridine;2-(4-ethynylpiperidin-1-yl)-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-(4-methoxypiperidin-1-yl)-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-(3-methylpyrrolidin-1-yl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(4-propylpiperidin-1-yl)pyridine;5-propan-2-yl-2-(3-propylpyrrolidin-1-yl)pyridine (PubChem CID 157109201) has the molecular formula C191H293FN24O2 and a molecular weight of 2976.61 g/mol. Its IUPAC name is 2-(4-but-3-ynylpiperidin-1-yl)-5-propan-2-ylpyridine;ethane;2-(3-ethylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(3-ethylpyrrolidin-1-yl)-5-propan-2-ylpyridine;2-(4-ethynylpiperidin-1-yl)-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-(4-methoxypiperidin-1-yl)-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-(3-methylpyrrolidin-1-yl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(4-propylpiperidin-1-yl)pyridine;5-propan-2-yl-2-(3-propylpyrrolidin-1-yl)pyridine.
| Compound Name | 2-(4-but-3-ynylpiperidin-1-yl)-5-propan-2-ylpyridine;ethane;2-(3-ethylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(3-ethylpyrrolidin-1-yl)-5-propan-2-ylpyridine;2-(4-ethynylpiperidin-1-yl)-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-(4-methoxypiperidin-1-yl)-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-(3-methylpyrrolidin-1-yl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(4-propylpiperidin-1-yl)pyridine;5-propan-2-yl-2-(3-propylpyrrolidin-1-yl)pyridine |
|---|---|
| PubChem CID | 157109201 |
| Molecular Formula | C191H293FN24O2 |
| Molecular Weight | 2976.61 g/mol |
| Exact Mass | 2974.35 |
| IUPAC Name | 2-(4-but-3-ynylpiperidin-1-yl)-5-propan-2-ylpyridine;ethane;2-(3-ethylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(4-ethylpiperidin-1-yl)-5-propan-2-ylpyridine;2-(3-ethylpyrrolidin-1-yl)-5-propan-2-ylpyridine;2-(4-ethynylpiperidin-1-yl)-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;2-(4-methoxypiperidin-1-yl)-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;bis(2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyridine);2-methyl-4-propan-2-ylpyridine;2-(3-methylpyrrolidin-1-yl)-5-propan-2-ylpyridine;5-propan-2-yl-2-(4-propylpiperidin-1-yl)pyridine;5-propan-2-yl-2-(3-propylpyrrolidin-1-yl)pyridine |
| SMILES | C#CC1CCN(c2ccc(C(C)C)cn2)CC1.C#CCCC1CCN(c2ccc(C(C)C)cn2)CC1.CC.CC(C)c1cccc(F)c1.CC1CCN(c2ccc(C(C)C)cn2)C1.CC1CCN(c2ccc(C(C)C)cn2)CC1.CC1CCN(c2ccc(C(C)C)cn2)CC1.CCC1CCCN(c2ccc(C(C)C)cn2)C1.CCC1CCN(c2ccc(C(C)C)cn2)C1.CCC1CCN(c2ccc(C(C)C)cn2)CC1.CCCC1CCN(c2ccc(C(C)C)cn2)C1.CCCC1CCN(c2ccc(C(C)C)cn2)CC1.COC1CCN(c2ccc(C(C)C)cn2)CC1.COc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1 |
| InChI | InChI=1S/C17H24N2.C16H26N2.C15H24N2.C15H20N2.2C15H24N2.C14H22N2O.3C14H22N2.C13H20N2.C9H11F.C9H13NO.C9H13N.C2H6/c1-4-5-6-15-9-11-19(12-10-15)17-8-7-16(13-18-17)14(2)3;1-4-5-14-8-10-18(11-9-14)16-7-6-15(12-17-16)13(2)3;2*1-4-13-7-9-17(10-8-13)15-6-5-14(11-16-15)12(2)3;1-4-13-6-5-9-17(11-13)15-8-7-14(10-16-15)12(2)3;1-4-5-13-8-9-17(11-13)15-7-6-14(10-16-15)12(2)3;1-11(2)12-4-5-14(15-10-12)16-8-6-13(17-3)7-9-16;2*1-11(2)13-4-5-14(15-10-13)16-8-6-12(3)7-9-16;1-4-12-7-8-16(10-12)14-6-5-13(9-15-14)11(2)3;1-10(2)12-4-5-13(14-8-12)15-7-6-11(3)9-15;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)9-4-5-10-8(3)6-9;1-2/h1,7-8,13-15H,5-6,9-12H2,2-3H3;6-7,12-14H,4-5,8-11H2,1-3H3;5-6,11-13H,4,7-10H2,1-3H3;1,5-6,11-13H,7-10H2,2-3H3;7-8,10,12-13H,4-6,9,11H2,1-3H3;6-7,10,12-13H,4-5,8-9,11H2,1-3H3;4-5,10-11,13H,6-9H2,1-3H3;2*4-5,10-12H,6-9H2,1-3H3;5-6,9,11-12H,4,7-8,10H2,1-3H3;4-5,8,10-11H,6-7,9H2,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;1-2H3 |
| InChIKey | AGQLQWHZJVETHA-UHFFFAOYSA-N |
| XLogP | 47.50 |
| TPSA | 221.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 218 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2976.61 |
| LogP ≤ 5 | 47.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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