C144H289N17 — CID 158524617
1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine (PubChem CID 158524617) has the molecular formula C144H289N17 and a molecular weight of 2259.01 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine.
| Compound Name | 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine |
|---|---|
| PubChem CID | 158524617 |
| Molecular Formula | C144H289N17 |
| Molecular Weight | 2259.01 g/mol |
| Exact Mass | 2257.31 |
| IUPAC Name | 1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-4-methylpiperidine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;tris(4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine);4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine |
| SMILES | CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CCN(C[C@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)C1CN(CC2CCN(C(C)(C)C)CC2)C1.CC(C)(C)N1CCN(C[C@@H]2CCN(C(C)(C)C)C2)CC1.CC(C)(C)N1CC[C@@H](CN2CCC(C)(C(C)(C)C)CC2)C1 |
| InChI | InChI=1S/2C19H38N2.4C18H36N2.C17H35N3.C17H34N2/c1-18(2,3)17-9-11-20(12-10-17)15-16-7-13-21(14-8-16)19(4,5)6;1-17(2,3)19(7)9-12-20(13-10-19)14-16-8-11-21(15-16)18(4,5)6;4*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;1-16(2,3)15-12-18(13-15)11-14-7-9-19(10-8-14)17(4,5)6/h16-17H,7-15H2,1-6H3;16H,8-15H2,1-7H3;4*15-16H,7-14H2,1-6H3;15H,7-14H2,1-6H3;14-15H,7-13H2,1-6H3/t;16-;5*15-;/m.010000./s1 |
| InChIKey | HMQHAHMFHLUTHW-LHZAOXSVSA-N |
| XLogP | 29.97 |
| TPSA | 55.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 161 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2259.01 |
| LogP ≤ 5 | 29.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |