C237H446F2N20O17 — CID 158058100
1-tert-butyl-4-[[4-(3-tert-butylcyclobutyl)oxypiperidin-1-yl]methyl]piperidine;bis(1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine);bis(1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine);1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidin-4-ol;bis(1-tert-butyl-4-[[4-[2-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-6-yl]piperidin-1-yl]methyl]piperidine);8-[(1-tert-butylpiperidin-4-yl)methyl]-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-8-azabicyclo[3.2.1]octane;1-tert-butyl-4-[[4-(3-propan-2-ylcyclobutyl)oxypiperidin-1-yl]methyl]piperidine (PubChem CID 158058100) has the molecular formula C237H446F2N20O17 and a molecular weight of 3886.29 g/mol. Its IUPAC name is 1-tert-butyl-4-[[4-(3-tert-butylcyclobutyl)oxypiperidin-1-yl]methyl]piperidine;bis(1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine);bis(1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine);1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidin-4-ol;bis(1-tert-butyl-4-[[4-[2-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-6-yl]piperidin-1-yl]methyl]piperidine);8-[(1-tert-butylpiperidin-4-yl)methyl]-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-8-azabicyclo[3.2.1]octane;1-tert-butyl-4-[[4-(3-propan-2-ylcyclobutyl)oxypiperidin-1-yl]methyl]piperidine.
| Compound Name | 1-tert-butyl-4-[[4-(3-tert-butylcyclobutyl)oxypiperidin-1-yl]methyl]piperidine;bis(1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine);bis(1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine);1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidin-4-ol;bis(1-tert-butyl-4-[[4-[2-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-6-yl]piperidin-1-yl]methyl]piperidine);8-[(1-tert-butylpiperidin-4-yl)methyl]-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-8-azabicyclo[3.2.1]octane;1-tert-butyl-4-[[4-(3-propan-2-ylcyclobutyl)oxypiperidin-1-yl]methyl]piperidine |
|---|---|
| PubChem CID | 158058100 |
| Molecular Formula | C237H446F2N20O17 |
| Molecular Weight | 3886.29 g/mol |
| Exact Mass | 3883.46 |
| IUPAC Name | 1-tert-butyl-4-[[4-(3-tert-butylcyclobutyl)oxypiperidin-1-yl]methyl]piperidine;bis(1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine);bis(1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine);1-tert-butyl-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidin-4-ol;bis(1-tert-butyl-4-[[4-[2-[(2-methylpropan-2-yl)oxy]spiro[3.3]heptan-6-yl]piperidin-1-yl]methyl]piperidine);8-[(1-tert-butylpiperidin-4-yl)methyl]-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-8-azabicyclo[3.2.1]octane;1-tert-butyl-4-[[4-(3-propan-2-ylcyclobutyl)oxypiperidin-1-yl]methyl]piperidine |
| SMILES | CC(C)(C)C1CC(OC2CCN(CC3CCN(C(C)(C)C)CC3)CC2)C1.CC(C)(C)OC1CC(OC2CC3CCC(C2)N3CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OC1CC(OC2CCN(CC3(F)CCN(C(C)(C)C)CC3)CC2)C1.CC(C)(C)OC1CC(OC2CCN(CC3(F)CCN(C(C)(C)C)CC3)CC2)C1.CC(C)(C)OC1CC(OC2CCN(CC3(O)CCN(C(C)(C)C)CC3)CC2)C1.CC(C)(C)OC1CC(OC2CCN(CC3CCN(C(C)(C)C)CC3)CC2)C1.CC(C)(C)OC1CC(OC2CCN(CC3CCN(C(C)(C)C)CC3)CC2)C1.CC(C)(C)OC1CC2(C1)CC(C1CCN(CC3CCN(C(C)(C)C)CC3)CC1)C2.CC(C)(C)OC1CC2(C1)CC(C1CCN(CC3CCN(C(C)(C)C)CC3)CC1)C2.CC(C)C1CC(OC2CCN(CC3CCN(C(C)(C)C)CC3)CC2)C1 |
| InChI | InChI=1S/2C26H48N2O.C25H46N2O2.2C23H43FN2O2.C23H44N2O3.2C23H44N2O2.C23H44N2O.C22H42N2O/c2*1-24(2,3)28-13-7-20(8-14-28)19-27-11-9-21(10-12-27)22-15-26(16-22)17-23(18-26)29-25(4,5)6;1-24(2,3)26-11-9-18(10-12-26)17-27-19-7-8-20(27)14-21(13-19)28-22-15-23(16-22)29-25(4,5)6;2*1-21(2,3)26-13-9-23(24,10-14-26)17-25-11-7-18(8-12-25)27-19-15-20(16-19)28-22(4,5)6;1-21(2,3)25-13-9-23(26,10-14-25)17-24-11-7-18(8-12-24)27-19-15-20(16-19)28-22(4,5)6;2*1-22(2,3)25-13-7-18(8-14-25)17-24-11-9-19(10-12-24)26-20-15-21(16-20)27-23(4,5)6;1-22(2,3)19-15-21(16-19)26-20-9-11-24(12-10-20)17-18-7-13-25(14-8-18)23(4,5)6;1-17(2)19-14-21(15-19)25-20-8-10-23(11-9-20)16-18-6-12-24(13-7-18)22(3,4)5/h2*20-23H,7-19H2,1-6H3;18-23H,7-17H2,1-6H3;2*18-20H,7-17H2,1-6H3;18-20,26H,7-17H2,1-6H3;2*18-21H,7-17H2,1-6H3;18-21H,7-17H2,1-6H3;17-21H,6-16H2,1-5H3 |
| InChIKey | FKHUVIHDCLLSTE-UHFFFAOYSA-N |
| XLogP | 46.15 |
| TPSA | 232.71 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 276 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3886.29 |
| LogP ≤ 5 | 46.15 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 37 |