C112H227N19O13 — CID 160827721
N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol (PubChem CID 160827721) has the molecular formula C112H227N19O13 and a molecular weight of 2048.17 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol.
| Compound Name | N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol |
|---|---|
| PubChem CID | 160827721 |
| Molecular Formula | C112H227N19O13 |
| Molecular Weight | 2048.17 g/mol |
| Exact Mass | 2046.77 |
| IUPAC Name | N-(4-hydroxycyclohexyl)-2-methylpropanamide;6-hydroxy-2-methylhexan-3-one;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-1-ol;2-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(2-methyl-N-(1-methylpiperidin-4-yl)propanamide);1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol |
| SMILES | CC(C)C(=O)CCCO.CC(C)C(=O)N1CCC(N2CCN(C)CC2)CC1.CC(C)C(=O)N1CCC(O)CC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)NC1CCC(O)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)C(=O)NC1CCN(C)CC1.CC(C)CCO.CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1 |
| InChI | InChI=1S/C14H27N3O.C13H27N3.2C10H20N2O.C10H19NO2.2C9H18N2O.C9H17NO2.C8H18N2.C8H17NO.C7H14O2.C5H12O/c1-12(2)14(18)17-6-4-13(5-7-17)16-10-8-15(3)9-11-16;1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;2*1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-7(2)10(13)11-8-3-5-9(12)6-4-8;1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)11-5-3-8(4-6-11)9(10)12;1-7(2)9(12)10-5-3-8(11)4-6-10;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-6(2)7(9)4-3-5-8;1-5(2)3-4-6/h12-13H,4-11H2,1-3H3;12-13H,4-11H2,1-3H3;2*8-9H,4-7H2,1-3H3,(H,11,13);7-9,12H,3-6H2,1-2H3,(H,11,13);8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3,(H2,10,12);7-8,11H,3-6H2,1-2H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6,8H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3 |
| InChIKey | SGKBHYXVHKNPSL-UHFFFAOYSA-N |
| XLogP | 9.89 |
| TPSA | 348.42 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2048.17 |
| LogP ≤ 5 | 9.89 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 25 |