C134H276N20O6 — CID 158010155
1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;bis(1-tert-butylpiperidin-4-ol);4-[(1-tert-butylpiperidin-4-yl)methyl]morpholine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;1-tert-butyl-3-pyrrolidin-1-ylpiperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine (PubChem CID 158010155) has the molecular formula C134H276N20O6 and a molecular weight of 2263.82 g/mol. Its IUPAC name is 1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;bis(1-tert-butylpiperidin-4-ol);4-[(1-tert-butylpiperidin-4-yl)methyl]morpholine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;1-tert-butyl-3-pyrrolidin-1-ylpiperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine.
| Compound Name | 1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;bis(1-tert-butylpiperidin-4-ol);4-[(1-tert-butylpiperidin-4-yl)methyl]morpholine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;1-tert-butyl-3-pyrrolidin-1-ylpiperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine |
|---|---|
| PubChem CID | 158010155 |
| Molecular Formula | C134H276N20O6 |
| Molecular Weight | 2263.82 g/mol |
| Exact Mass | 2262.19 |
| IUPAC Name | 1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-methoxypiperidine;1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;1-tert-butylpiperidin-3-ol;bis(1-tert-butylpiperidin-4-ol);4-[(1-tert-butylpiperidin-4-yl)methyl]morpholine;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;1-tert-butyl-3-pyrrolidin-1-ylpiperidine;1-tert-butyl-4-pyrrolidin-1-ylpiperidine |
| SMILES | CC(C)(C)N1CC(N2CCCCC2)C1.CC(C)(C)N1CCC(CN2CCOCC2)CC1.CC(C)(C)N1CCC(N2CCC(O)C2)CC1.CC(C)(C)N1CCC(N2CCCC2)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCC(O)CC1.CC(C)(C)N1CCCC(N)C1.CC(C)(C)N1CCCC(N2CCCC2)C1.CC(C)(C)N1CCCC(O)C1.CC(C)(C)N1CCCCC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1.COC1CCN(C(C)(C)C)CC1 |
| InChI | InChI=1S/C14H29N3.C14H28N2O.C13H26N2O.2C13H26N2.C12H24N2.C10H21NO.C9H20N2.3C9H19NO.C9H19N/c1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-14(2,3)16-6-4-13(5-7-16)12-15-8-10-17-11-9-15;1-13(2,3)15-8-4-11(5-9-15)14-7-6-12(16)10-14;1-13(2,3)15-10-6-12(7-11-15)14-8-4-5-9-14;1-13(2,3)15-10-6-7-12(11-15)14-8-4-5-9-14;1-12(2,3)14-9-11(10-14)13-7-5-4-6-8-13;1-10(2,3)11-7-5-9(12-4)6-8-11;1-9(2,3)11-6-4-5-8(10)7-11;2*1-9(2,3)10-6-4-8(11)5-7-10;1-9(2,3)10-6-4-5-8(11)7-10;1-9(2,3)10-7-5-4-6-8-10/h13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;11-12,16H,4-10H2,1-3H3;2*12H,4-11H2,1-3H3;11H,4-10H2,1-3H3;9H,5-8H2,1-4H3;8H,4-7,10H2,1-3H3;3*8,11H,4-7H2,1-3H3;4-8H2,1-3H3 |
| InChIKey | FEUAJLYKKKZGMF-UHFFFAOYSA-N |
| XLogP | 20.39 |
| TPSA | 186.96 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 160 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2263.82 |
| LogP ≤ 5 | 20.39 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 26 |