C229H393N23O7 — CID 160804562
1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine;1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperidine;1-[(1-tert-butylazetidin-3-yl)methyl]-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-[1-[2-(4-tert-butylphenoxy)ethyl]azetidin-3-yl]piperidine;1-tert-butyl-3-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]azetidine;1-tert-butyl-4-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]piperazine;1-[2-(4-tert-butylphenoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-(4-tert-butylphenoxy)ethyl]-4-[(2-methylpropan-2-yl)oxy]piperidine;1-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butylphenyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-(2-methoxyethyl)-6-methyl-2,6-diazaspiro[3.3]heptane (PubChem CID 160804562) has the molecular formula C229H393N23O7 and a molecular weight of 3580.82 g/mol. Its IUPAC name is 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine;1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperidine;1-[(1-tert-butylazetidin-3-yl)methyl]-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-[1-[2-(4-tert-butylphenoxy)ethyl]azetidin-3-yl]piperidine;1-tert-butyl-3-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]azetidine;1-tert-butyl-4-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]piperazine;1-[2-(4-tert-butylphenoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-(4-tert-butylphenoxy)ethyl]-4-[(2-methylpropan-2-yl)oxy]piperidine;1-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butylphenyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-(2-methoxyethyl)-6-methyl-2,6-diazaspiro[3.3]heptane.
| Compound Name | 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine;1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperidine;1-[(1-tert-butylazetidin-3-yl)methyl]-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-[1-[2-(4-tert-butylphenoxy)ethyl]azetidin-3-yl]piperidine;1-tert-butyl-3-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]azetidine;1-tert-butyl-4-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]piperazine;1-[2-(4-tert-butylphenoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-(4-tert-butylphenoxy)ethyl]-4-[(2-methylpropan-2-yl)oxy]piperidine;1-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butylphenyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-(2-methoxyethyl)-6-methyl-2,6-diazaspiro[3.3]heptane |
|---|---|
| PubChem CID | 160804562 |
| Molecular Formula | C229H393N23O7 |
| Molecular Weight | 3580.82 g/mol |
| Exact Mass | 3578.11 |
| IUPAC Name | 1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperazine;1-(1-tert-butylazetidin-3-yl)-4-(4-tert-butylphenyl)piperidine;1-[(1-tert-butylazetidin-3-yl)methyl]-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-[1-[2-(4-tert-butylphenoxy)ethyl]azetidin-3-yl]piperidine;1-tert-butyl-3-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]azetidine;1-tert-butyl-4-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]piperazine;1-[2-(4-tert-butylphenoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[2-(4-tert-butylphenoxy)ethyl]-4-[(2-methylpropan-2-yl)oxy]piperidine;1-(4-tert-butylphenyl)-4-(2,2-dimethylpropyl)piperidine;1-(4-tert-butylphenyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;methane;2-(2-methoxyethyl)-6-methyl-2,6-diazaspiro[3.3]heptane |
| SMILES | C.C.C.CC(C)(C)CC1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)OC1CCN(CCOc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)OCCN1CCN(CCOc2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(C2CCN(C3CN(C(C)(C)C)C3)CC2)cc1.CC(C)(C)c1ccc(C2CN(CC3CN(C(C)(C)C)C3)C2)cc1.CC(C)(C)c1ccc(N2CCC(CN3CCN(C(C)(C)C)CC3)CC2)cc1.CC(C)(C)c1ccc(N2CCN(C3CN(C(C)(C)C)C3)CC2)cc1.CC(C)(C)c1ccc(N2CCN(CC3CN(C(C)(C)C)C3)CC2)cc1.CC(C)(C)c1ccc(OCCN2CC(C3CCN(C(C)(C)C)CC3)C2)cc1.COCCN1CC2(CN(C)C2)C1 |
| InChI | InChI=1S/C24H41N3.C24H40N2O.C22H37N3.C22H38N2O2.C22H36N2.C21H35N3.C21H34N2.C21H35NO2.C20H34N2O.C20H33N.C9H18N2O.3CH4/c1-23(2,3)21-7-9-22(10-8-21)26-13-11-20(12-14-26)19-25-15-17-27(18-16-25)24(4,5)6;1-23(2,3)21-7-9-22(10-8-21)27-16-15-25-17-20(18-25)19-11-13-26(14-12-19)24(4,5)6;1-21(2,3)19-7-9-20(10-8-19)24-13-11-23(12-14-24)15-18-16-25(17-18)22(4,5)6;1-21(2,3)19-7-9-20(10-8-19)25-17-15-23-11-13-24(14-12-23)16-18-26-22(4,5)6;1-21(2,3)19-9-7-17(8-10-19)18-11-13-23(14-12-18)20-15-24(16-20)22(4,5)6;1-20(2,3)17-7-9-18(10-8-17)22-11-13-23(14-12-22)19-15-24(16-19)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;1-20(2,3)17-7-9-18(10-8-17)23-16-15-22-13-11-19(12-14-22)24-21(4,5)6;1-19(2,3)17-7-9-18(10-8-17)22-13-11-21(12-14-22)15-16-23-20(4,5)6;1-19(2,3)15-16-11-13-21(14-12-16)18-9-7-17(8-10-18)20(4,5)6;1-10-5-9(6-10)7-11(8-9)3-4-12-2;;;/h7-10,20H,11-19H2,1-6H3;7-10,19-20H,11-18H2,1-6H3;7-10,18H,11-17H2,1-6H3;7-10H,11-18H2,1-6H3;7-10,18,20H,11-16H2,1-6H3;7-10,19H,11-16H2,1-6H3;7-10,16,18H,11-15H2,1-6H3;7-10,19H,11-16H2,1-6H3;7-10H,11-16H2,1-6H3;7-10,16H,11-15H2,1-6H3;3-8H2,1-2H3;3*1H4 |
| InChIKey | SDNCFRNNNIKDKW-UHFFFAOYSA-N |
| XLogP | 45.39 |
| TPSA | 139.13 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 259 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3580.82 |
| LogP ≤ 5 | 45.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |