C135H272N26O12 — CID 158629224
N-(2-aminoethyl)-2-(4-tert-butylmorpholin-3-yl)acetamide;4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide;2-(4-tert-butylmorpholin-3-yl)acetic acid;2-(4-tert-butylmorpholin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone;(1-tert-butylpiperidin-4-yl) acetate;4-[(1-tert-butylpiperidin-4-yl)methyl]morpholine;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-1-piperidin-4-ylmethanamine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine (PubChem CID 158629224) has the molecular formula C135H272N26O12 and a molecular weight of 2451.83 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-tert-butylmorpholin-3-yl)acetamide;4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide;2-(4-tert-butylmorpholin-3-yl)acetic acid;2-(4-tert-butylmorpholin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone;(1-tert-butylpiperidin-4-yl) acetate;4-[(1-tert-butylpiperidin-4-yl)methyl]morpholine;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-1-piperidin-4-ylmethanamine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine.
| Compound Name | N-(2-aminoethyl)-2-(4-tert-butylmorpholin-3-yl)acetamide;4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide;2-(4-tert-butylmorpholin-3-yl)acetic acid;2-(4-tert-butylmorpholin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone;(1-tert-butylpiperidin-4-yl) acetate;4-[(1-tert-butylpiperidin-4-yl)methyl]morpholine;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-1-piperidin-4-ylmethanamine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine |
|---|---|
| PubChem CID | 158629224 |
| Molecular Formula | C135H272N26O12 |
| Molecular Weight | 2451.83 g/mol |
| Exact Mass | 2450.15 |
| IUPAC Name | N-(2-aminoethyl)-2-(4-tert-butylmorpholin-3-yl)acetamide;4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide;2-(4-tert-butylmorpholin-3-yl)acetic acid;2-(4-tert-butylmorpholin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone;(1-tert-butylpiperidin-4-yl) acetate;4-[(1-tert-butylpiperidin-4-yl)methyl]morpholine;1-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-1-piperidin-4-ylmethanamine;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine |
| SMILES | CC(=O)OC1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(C(=O)NCC2CCNCC2)CC1.CC(C)(C)N1CCC(CN2CCNCC2)CC1.CC(C)(C)N1CCC(CN2CCOCC2)CC1.CC(C)(C)N1CCC(CNCC2CCNCC2)CC1.CC(C)(C)N1CCOCC1CC(=O)NCCN.CC(C)(C)N1CCOCC1CC(=O)O.CN1CCC(CNC(=O)N2CCN(C(C)(C)C)CC2)CC1.CN1CCN(C(=O)CC2COCCN2C(C)(C)C)CC1.CN1CCN(CCNC(C)(C)C)CC1 |
| InChI | InChI=1S/C16H32N4O.C16H31N3O.C16H33N3.C15H29N3O2.C14H29N3.C14H28N2O.C12H25N3O2.C11H25N3.C11H21NO2.C10H19NO3/c1-16(2,3)20-11-9-19(10-12-20)15(21)17-13-14-5-7-18(4)8-6-14;1-16(2,3)19-10-6-14(7-11-19)15(20)18-12-13-4-8-17-9-5-13;1-16(2,3)19-10-6-15(7-11-19)13-18-12-14-4-8-17-9-5-14;1-15(2,3)18-9-10-20-12-13(18)11-14(19)17-7-5-16(4)6-8-17;1-14(2,3)17-8-4-13(5-9-17)12-16-10-6-15-7-11-16;1-14(2,3)16-6-4-13(5-7-16)12-15-8-10-17-11-9-15;1-12(2,3)15-6-7-17-9-10(15)8-11(16)14-5-4-13;1-11(2,3)12-5-6-14-9-7-13(4)8-10-14;1-9(13)14-10-5-7-12(8-6-10)11(2,3)4;1-10(2,3)11-4-5-14-7-8(11)6-9(12)13/h14H,5-13H2,1-4H3,(H,17,21);13-14,17H,4-12H2,1-3H3,(H,18,20);14-15,17-18H,4-13H2,1-3H3;13H,5-12H2,1-4H3;13,15H,4-12H2,1-3H3;13H,4-12H2,1-3H3;10H,4-9,13H2,1-3H3,(H,14,16);12H,5-10H2,1-4H3;10H,5-8H2,1-4H3;8H,4-7H2,1-3H3,(H,12,13) |
| InChIKey | HYZFDHFDFPMPEQ-UHFFFAOYSA-N |
| XLogP | 12.38 |
| TPSA | 346.14 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2451.83 |
| LogP ≤ 5 | 12.38 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 32 |