C190H386N26O4 — CID 160656190
1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-ethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) (PubChem CID 160656190) has the molecular formula C190H386N26O4 and a molecular weight of 3099.36 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-ethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine).
| Compound Name | 1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-ethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) |
|---|---|
| PubChem CID | 160656190 |
| Molecular Formula | C190H386N26O4 |
| Molecular Weight | 3099.36 g/mol |
| Exact Mass | 3097.08 |
| IUPAC Name | 1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-ethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine;bis(N-[(1-tert-butylpiperidin-4-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylcyclobutan-1-amine) |
| SMILES | CC(C)(C)N1CCC(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)N(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CC(C)N(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CCN(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.CN(CC1CCN(C(C)(C)C)CC1)C1CC(OC(C)(C)C)C1.C[C@@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1.C[C@H]1CN(C(C)(C)C)CCN1CC1CCN(C(C)(C)C)CC1 |
| InChI | InChI=1S/2C21H42N2O.C20H40N2O.3C19H39N3.C19H38N2O.C18H37N3.2C17H35N3/c2*1-16(2)23(18-13-19(14-18)24-21(6,7)8)15-17-9-11-22(12-10-17)20(3,4)5;1-8-21(17-13-18(14-17)23-20(5,6)7)15-16-9-11-22(12-10-16)19(2,3)4;2*1-16-14-22(19(5,6)7)13-12-20(16)15-17-8-10-21(11-9-17)18(2,3)4;1-18(2,3)21-11-8-17(9-12-21)7-10-20-13-15-22(16-14-20)19(4,5)6;1-18(2,3)21-10-8-15(9-11-21)14-20(7)16-12-17(13-16)22-19(4,5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;2*1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6/h2*16-19H,9-15H2,1-8H3;16-18H,8-15H2,1-7H3;2*16-17H,8-15H2,1-7H3;17H,7-16H2,1-6H3;15-17H,8-14H2,1-7H3;16H,7-15H2,1-6H3;2*15H,7-14H2,1-6H3/t;;;2*16-;;;;2*15-/m...10...10/s1 |
| InChIKey | RLBRMBUFQNHMAF-LIJOVIHPSA-N |
| XLogP | 34.91 |
| TPSA | 121.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 220 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3099.36 |
| LogP ≤ 5 | 34.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |