C125H232N32O2S — CID 159424819
1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 159424819) has the molecular formula C125H232N32O2S and a molecular weight of 2247.52 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine.
| Compound Name | 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine |
|---|---|
| PubChem CID | 159424819 |
| Molecular Formula | C125H232N32O2S |
| Molecular Weight | 2247.52 g/mol |
| Exact Mass | 2245.88 |
| IUPAC Name | 1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;2-(4-tert-butylpiperazin-1-yl)acetamide;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine |
| SMILES | CC(C)(C)N1CCN(CC(N)=O)CC1.CC(C)(C)N1CCN(CCN2CCCC2)CC1.CC(C)(C)N1CCN(CCN2CCOCC2)CC1.CC(C)(C)N1CCN(CCn2ccnc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2ccncc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2nccs2)CC1.CN(C)CCN1CCN(C(C)(C)C)CC1 |
| InChI | InChI=1S/C14H29N3O.C14H29N3.C13H24N4.3C13H21N3.C12H20N4.C12H27N3.C11H19N3S.C10H21N3O/c1-14(2,3)17-8-6-15(7-9-17)4-5-16-10-12-18-13-11-16;1-14(2,3)17-12-10-16(11-13-17)9-8-15-6-4-5-7-15;1-13(2,3)17-10-8-15(9-11-17)6-7-16-5-4-14-12-16;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)15-10-8-14(9-11-15)7-6-13(4)5;1-11(2,3)14-7-5-13(6-8-14)10-12-4-9-15-10;1-10(2,3)13-6-4-12(5-7-13)8-9(11)14/h4-13H2,1-3H3;4-13H2,1-3H3;4-5,12H,6-11H2,1-3H3;4-7H,8-11H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;6-11H2,1-5H3;4,9H,5-8H2,1-3H3;4-8H2,1-3H3,(H2,11,14) |
| InChIKey | LQFHRAXOHXTSJH-UHFFFAOYSA-N |
| XLogP | 13.85 |
| TPSA | 222.00 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 160 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2247.52 |
| LogP ≤ 5 | 13.85 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 34 |