C222H354N12O16 — CID 160651486
1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[3-(4-tert-butylphenoxy)propoxy]benzene;1-tert-butyl-3-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]azetidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;1-(4-tert-butylphenyl)-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine;3-(4-tert-butylphenyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine;1-(4-tert-butylphenyl)-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine (PubChem CID 160651486) has the molecular formula C222H354N12O16 and a molecular weight of 3447.34 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[3-(4-tert-butylphenoxy)propoxy]benzene;1-tert-butyl-3-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]azetidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;1-(4-tert-butylphenyl)-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine;3-(4-tert-butylphenyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine;1-(4-tert-butylphenyl)-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine.
| Compound Name | 1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[3-(4-tert-butylphenoxy)propoxy]benzene;1-tert-butyl-3-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]azetidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;1-(4-tert-butylphenyl)-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine;3-(4-tert-butylphenyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine;1-(4-tert-butylphenyl)-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine |
|---|---|
| PubChem CID | 160651486 |
| Molecular Formula | C222H354N12O16 |
| Molecular Weight | 3447.34 g/mol |
| Exact Mass | 3444.73 |
| IUPAC Name | 1-tert-butyl-4-(3-tert-butylcyclohexyl)oxypiperidine;1-tert-butyl-4-[3-(4-tert-butylphenoxy)propoxy]benzene;1-tert-butyl-3-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]azetidine;1-tert-butyl-4-[2-[4-(4-tert-butylphenyl)piperazin-1-yl]ethyl]piperazine;1-tert-butyl-4-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenoxy]ethoxy]benzene;1-tert-butyl-4-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;1-tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]benzene;1-(4-tert-butylphenyl)-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine;3-(4-tert-butylphenyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine;1-(4-tert-butylphenyl)-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine |
| SMILES | CC(C)(C)C1CCCC(OC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCN1CC(c2ccc(C(C)(C)C)cc2)C1.CC(C)(C)OCCCN1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)OCCCOc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)OCCCOc1cccc(-c2ccc(C(C)(C)C)cc2)c1.CC(C)(C)OCCOCCN1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)OCCOCCOc1cccc(OCCOc2ccc(C(C)(C)C)cc2)c1.CC(C)(C)c1ccc(C2CN(CC3CN(C(C)(C)C)C3)C2)cc1.CC(C)(C)c1ccc(N2CCN(CCN3CCN(C(C)(C)C)CC3)CC2)cc1.CC(C)(C)c1ccc(OCCCOc2ccc(C(C)(C)C)cc2)cc1 |
| InChI | InChI=1S/C26H38O5.C24H42N4.3C23H32O2.C22H38N2O2.C21H36N2O.C21H34N2.C20H33NO.C19H37NO/c1-25(2,3)21-10-12-22(13-11-21)28-17-18-30-24-9-7-8-23(20-24)29-16-14-27-15-19-31-26(4,5)6;1-23(2,3)21-7-9-22(10-8-21)27-17-13-25(14-18-27)11-12-26-15-19-28(20-16-26)24(4,5)6;1-22(2,3)18-8-12-20(13-9-18)24-16-7-17-25-21-14-10-19(11-15-21)23(4,5)6;1-22(2,3)20-12-8-18(9-13-20)19-10-14-21(15-11-19)24-16-7-17-25-23(4,5)6;1-22(2,3)20-13-11-18(12-14-20)19-9-7-10-21(17-19)24-15-8-16-25-23(4,5)6;1-21(2,3)19-7-9-20(10-8-19)24-13-11-23(12-14-24)15-16-25-17-18-26-22(4,5)6;1-20(2,3)18-8-10-19(11-9-18)23-15-13-22(14-16-23)12-7-17-24-21(4,5)6;1-20(2,3)19-9-7-17(8-10-19)18-14-22(15-18)11-16-12-23(13-16)21(4,5)6;1-19(2,3)18-10-8-16(9-11-18)17-14-21(15-17)12-7-13-22-20(4,5)6;1-18(2,3)15-8-7-9-17(14-15)21-16-10-12-20(13-11-16)19(4,5)6/h7-13,20H,14-19H2,1-6H3;7-10H,11-20H2,1-6H3;2*8-15H,7,16-17H2,1-6H3;7,9-14,17H,8,15-16H2,1-6H3;7-10H,11-18H2,1-6H3;8-11H,7,12-17H2,1-6H3;7-10,16,18H,11-15H2,1-6H3;8-11,17H,7,12-15H2,1-6H3;15-17H,7-14H2,1-6H3 |
| InChIKey | RKMDENJRUZYCFO-UHFFFAOYSA-N |
| XLogP | 49.60 |
| TPSA | 186.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 250 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3447.34 |
| LogP ≤ 5 | 49.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|