C139H284N20 — CID 158564155
bis(1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine);1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine (PubChem CID 158564155) has the molecular formula C139H284N20 and a molecular weight of 2235.94 g/mol. Its IUPAC name is bis(1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine);1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine.
| Compound Name | bis(1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine);1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine |
|---|---|
| PubChem CID | 158564155 |
| Molecular Formula | C139H284N20 |
| Molecular Weight | 2235.94 g/mol |
| Exact Mass | 2234.28 |
| IUPAC Name | bis(1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine);1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine |
| SMILES | CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(CCC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCC(CCN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(CCC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(CCC2CN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@@H]2CCCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1 |
| InChI | InChI=1S/C20H40N2.C19H39N3.C18H37N3.C18H36N2.3C17H35N3.C13H27N/c1-19(2,3)18-10-13-21(14-11-18)12-7-17-8-15-22(16-9-17)20(4,5)6;1-18(2,3)21-11-8-17(9-12-21)7-10-20-13-15-22(16-14-20)19(4,5)6;1-17(2,3)20-12-10-19(11-13-20)14-16-8-7-9-21(15-16)18(4,5)6;1-17(2,3)16-8-10-19(11-9-16)13-15-7-12-20(14-15)18(4,5)6;1-16(2,3)19-11-9-18(10-12-19)13-15-7-8-20(14-15)17(4,5)6;2*1-16(2,3)19-11-9-18(10-12-19)8-7-15-13-20(14-15)17(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h17-18H,7-16H2,1-6H3;17H,7-16H2,1-6H3;16H,7-15H2,1-6H3;15-16H,7-14H2,1-6H3;3*15H,7-14H2,1-6H3;11H,7-10H2,1-6H3/t;;16-;2*15-;;;/m..001.../s1 |
| InChIKey | HRGMMRFWBDIVMP-ZLLFURDDSA-N |
| XLogP | 25.84 |
| TPSA | 64.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 159 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2235.94 |
| LogP ≤ 5 | 25.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |