C119H169N11O30Si4 — CID 157251203
2-[[(2S)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;2,6-dihydroxybenzaldehyde;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol (PubChem CID 157251203) has the molecular formula C119H169N11O30Si4 and a molecular weight of 2346.05 g/mol. Its IUPAC name is 2-[[(2S)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;2,6-dihydroxybenzaldehyde;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol.
| Compound Name | 2-[[(2S)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;2,6-dihydroxybenzaldehyde;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol |
|---|---|
| PubChem CID | 157251203 |
| Molecular Formula | C119H169N11O30Si4 |
| Molecular Weight | 2346.05 g/mol |
| Exact Mass | 2344.11 |
| IUPAC Name | 2-[[(2S)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carbonyl]piperidin-2-yl]methoxy]-6-hydroxybenzaldehyde;2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylic acid;[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;2,6-dihydroxybenzaldehyde;methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate;[(2S)-piperidin-2-yl]methanol |
| SMILES | CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCCC[C@H]1CO.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)N1CCCC[C@H]1COc1cccc(O)c1C=O.CC(C)(C)[Si](C)(C)OCc1ncccc1C(=O)O.COC(=O)c1ccc[n+]([O-])c1C.COC(=O)c1cccnc1C.COC(=O)c1cccnc1CO.COC(=O)c1cccnc1COC(C)=O.COC(=O)c1cccnc1CO[Si](C)(C)C(C)(C)C.O=Cc1c(O)cccc1O.OC[C@@H]1CCCCN1 |
| InChI | InChI=1S/C26H36N2O5Si.C19H32N2O3Si.C14H23NO3Si.C13H21NO3Si.C10H11NO4.2C8H9NO3.C8H9NO2.C7H6O3.C6H13NO/c1-26(2,3)34(4,5)33-18-22-20(11-9-14-27-22)25(31)28-15-7-6-10-19(28)17-32-24-13-8-12-23(30)21(24)16-29;1-19(2,3)25(4,5)24-14-17-16(10-8-11-20-17)18(23)21-12-7-6-9-15(21)13-22;1-14(2,3)19(5,6)18-10-12-11(13(16)17-4)8-7-9-15-12;1-13(2,3)18(4,5)17-9-11-10(12(15)16)7-6-8-14-11;1-7(12)15-6-9-8(10(13)14-2)4-3-5-11-9;1-6-7(8(10)12-2)4-3-5-9(6)11;1-12-8(11)6-3-2-4-9-7(6)5-10;1-6-7(8(10)11-2)4-3-5-9-6;8-4-5-6(9)2-1-3-7(5)10;8-5-6-3-1-2-4-7-6/h8-9,11-14,16,19,30H,6-7,10,15,17-18H2,1-5H3;8,10-11,15,22H,6-7,9,12-14H2,1-5H3;7-9H,10H2,1-6H3;6-8H,9H2,1-5H3,(H,15,16);3-5H,6H2,1-2H3;3-5H,1-2H3;2-4,10H,5H2,1H3;3-5H,1-2H3;1-4,9-10H;6-8H,1-5H2/t19-;15-;;;;;;;;6-/m00.......0/s1 |
| InChIKey | PTDOICPBKYAMLW-MXEITDGYSA-N |
| XLogP | 19.39 |
| TPSA | 566.59 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2346.05 |
| LogP ≤ 5 | 19.39 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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