C190H398N34O11 — CID 160971133
1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;(1-tert-butylpiperidin-2-yl) formate;1-tert-butyl-4-propylpiperazine;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate (PubChem CID 160971133) has the molecular formula C190H398N34O11 and a molecular weight of 3335.50 g/mol. Its IUPAC name is 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;(1-tert-butylpiperidin-2-yl) formate;1-tert-butyl-4-propylpiperazine;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate.
| Compound Name | 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;(1-tert-butylpiperidin-2-yl) formate;1-tert-butyl-4-propylpiperazine;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate |
|---|---|
| PubChem CID | 160971133 |
| Molecular Formula | C190H398N34O11 |
| Molecular Weight | 3335.50 g/mol |
| Exact Mass | 3333.16 |
| IUPAC Name | 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-2,5-dimethylpiperidine;tris(1-tert-butyl-4-ethylpiperazine);1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylacetamide;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);2-(4-tert-butylpiperazin-1-yl)-N-methylacetamide;1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;(1-tert-butylpiperidin-2-yl) formate;1-tert-butyl-4-propylpiperazine;1,4-ditert-butylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate |
| SMILES | CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCC(NCCO)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1OC=O.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(CC2CC2)CC1.CC1CCC(C)N(C(C)(C)C)C1.CCCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)CN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC(=O)CN1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1 |
| InChI | InChI=1S/C12H25N3O.C12H24N2O2.C12H24N2.C12H26N2.C11H23N3O.2C11H24N2O.C11H24N2.C11H23N.2C10H20N2O.3C10H22N2.C10H19NO2.C9H20N2.C9H17NO.C9H19N/c1-12(2,3)15-8-6-14(7-9-15)10-11(16)13(4)5;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-12(2,3)14-8-6-13(7-9-14)10-11-4-5-11;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-11(2,3)14-7-5-13(6-8-14)9-10(15)12-4;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-11(2,3)13-7-4-5-10(9-13)12-6-8-14;1-5-6-12-7-9-13(10-8-12)11(2,3)4;1-9-6-7-10(2)12(8-9)11(3,4)5;2*1-9(13)11-5-7-12(8-6-11)10(2,3)4;3*1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)11-7-5-4-6-9(11)13-8-12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-5-8(11)7-10;1-9(2,3)10-7-5-4-6-8-10/h6-10H2,1-5H3;5-10H2,1-4H3;11H,4-10H2,1-3H3;7-10H2,1-6H3;5-9H2,1-4H3,(H,12,15);5-10H2,1-4H3;10,12,14H,4-9H2,1-3H3;5-10H2,1-4H3;9-10H,6-8H2,1-5H3;2*5-8H2,1-4H3;3*5-9H2,1-4H3;8-9H,4-7H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3 |
| InChIKey | SYGODCBPDHXRKN-UHFFFAOYSA-N |
| XLogP | 24.90 |
| TPSA | 295.15 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 235 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3335.50 |
| LogP ≤ 5 | 24.90 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
|---|