C128H164Br3N17O10Si — CID 159672921
6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-dimethyl-piperidin-4-yloxysilane;cyclopropanecarbonitrile;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methylpiperidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol;ethyl 2-amino-5-bromobenzoate;methanol;4-(2-methoxyphenyl)piperidine (PubChem CID 159672921) has the molecular formula C128H164Br3N17O10Si and a molecular weight of 2368.63 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-dimethyl-piperidin-4-yloxysilane;cyclopropanecarbonitrile;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methylpiperidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol;ethyl 2-amino-5-bromobenzoate;methanol;4-(2-methoxyphenyl)piperidine.
| Compound Name | 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-dimethyl-piperidin-4-yloxysilane;cyclopropanecarbonitrile;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methylpiperidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol;ethyl 2-amino-5-bromobenzoate;methanol;4-(2-methoxyphenyl)piperidine |
|---|---|
| PubChem CID | 159672921 |
| Molecular Formula | C128H164Br3N17O10Si |
| Molecular Weight | 2368.63 g/mol |
| Exact Mass | 2364.02 |
| IUPAC Name | 6-bromo-2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-3H-quinazolin-4-one;tert-butyl-dimethyl-piperidin-4-yloxysilane;cyclopropanecarbonitrile;2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-(4-methylpiperidin-1-yl)quinazoline;1-[2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]piperidin-4-ol;ethyl 2-amino-5-bromobenzoate;methanol;4-(2-methoxyphenyl)piperidine |
| SMILES | CC(C)(C)[Si](C)(C)OC1CCNCC1.CCOC(=O)c1cc(Br)ccc1N.CO.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(Br)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(C)CC4)cc23)CC1.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(N4CCC(O)CC4)cc23)CC1.COc1ccccc1C1CCNCC1.N#CC1CC1.O=c1[nH]c(C2CC2)nc2ccc(Br)cc12 |
| InChI | InChI=1S/C29H36N4O.C28H34N4O2.C23H24BrN3O.C12H17NO.C11H9BrN2O.C11H25NOSi.C9H10BrNO2.C4H5N.CH4O/c1-20-11-15-32(16-12-20)23-9-10-26-25(19-23)29(31-28(30-26)22-7-8-22)33-17-13-21(14-18-33)24-5-3-4-6-27(24)34-2;1-34-26-5-3-2-4-23(26)19-10-14-32(15-11-19)28-24-18-21(31-16-12-22(33)13-17-31)8-9-25(24)29-27(30-28)20-6-7-20;1-28-21-5-3-2-4-18(21)15-10-12-27(13-11-15)23-19-14-17(24)8-9-20(19)25-22(26-23)16-6-7-16;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;12-7-3-4-9-8(5-7)11(15)14-10(13-9)6-1-2-6;1-11(2,3)14(4,5)13-10-6-8-12-9-7-10;1-2-13-9(12)7-5-6(10)3-4-8(7)11;5-3-4-1-2-4;1-2/h3-6,9-10,19-22H,7-8,11-18H2,1-2H3;2-5,8-9,18-20,22,33H,6-7,10-17H2,1H3;2-5,8-9,14-16H,6-7,10-13H2,1H3;2-5,10,13H,6-9H2,1H3;3-6H,1-2H2,(H,13,14,15);10,12H,6-9H2,1-5H3;3-5H,2,11H2,1H3;4H,1-2H2;2H,1H3 |
| InChIKey | MUFMMNVFWPPKNW-UHFFFAOYSA-N |
| XLogP | 26.88 |
| TPSA | 326.07 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2368.63 |
| LogP ≤ 5 | 26.88 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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