C291H598N56O32 — CID 158770510
2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2R)-2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2S)-2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2S)-2-ethyl-4-propan-2-ylmorpholine;2-ethyl-4-propan-2-ylmorpholine;3-ethyl-1-propan-2-ylpiperazine;(3R)-3-ethyl-1-propan-2-ylpiperazine;(3S)-3-ethyl-1-propan-2-ylpiperazine;1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;(3S)-4-propan-2-ylmorpholine-3-carboxamide;(3R)-4-propan-2-ylmorpholine-3-carboxamide;4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;(2S)-1-propan-2-ylpiperazine-2-carboxamide;(2R)-1-propan-2-ylpiperazine-2-carboxamide;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone;1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone (PubChem CID 158770510) has the molecular formula C291H598N56O32 and a molecular weight of 5394.35 g/mol. Its IUPAC name is 2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2R)-2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2S)-2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2S)-2-ethyl-4-propan-2-ylmorpholine;2-ethyl-4-propan-2-ylmorpholine;3-ethyl-1-propan-2-ylpiperazine;(3R)-3-ethyl-1-propan-2-ylpiperazine;(3S)-3-ethyl-1-propan-2-ylpiperazine;1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;(3S)-4-propan-2-ylmorpholine-3-carboxamide;(3R)-4-propan-2-ylmorpholine-3-carboxamide;4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;(2S)-1-propan-2-ylpiperazine-2-carboxamide;(2R)-1-propan-2-ylpiperazine-2-carboxamide;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone;1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone.
| Compound Name | 2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2R)-2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2S)-2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2S)-2-ethyl-4-propan-2-ylmorpholine;2-ethyl-4-propan-2-ylmorpholine;3-ethyl-1-propan-2-ylpiperazine;(3R)-3-ethyl-1-propan-2-ylpiperazine;(3S)-3-ethyl-1-propan-2-ylpiperazine;1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;(3S)-4-propan-2-ylmorpholine-3-carboxamide;(3R)-4-propan-2-ylmorpholine-3-carboxamide;4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;(2S)-1-propan-2-ylpiperazine-2-carboxamide;(2R)-1-propan-2-ylpiperazine-2-carboxamide;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone;1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone |
|---|---|
| PubChem CID | 158770510 |
| Molecular Formula | C291H598N56O32 |
| Molecular Weight | 5394.35 g/mol |
| Exact Mass | 5390.69 |
| IUPAC Name | 2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2R)-2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2S)-2-ethyl-1-methyl-4-propan-2-ylpiperazine;(2R)-2-ethyl-4-propan-2-ylmorpholine;(2S)-2-ethyl-4-propan-2-ylmorpholine;2-ethyl-4-propan-2-ylmorpholine;3-ethyl-1-propan-2-ylpiperazine;(3R)-3-ethyl-1-propan-2-ylpiperazine;(3S)-3-ethyl-1-propan-2-ylpiperazine;1-(1-methyl-4-propan-2-ylpiperazin-2-yl)ethanone;1-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]ethanone;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;(3S)-4-propan-2-ylmorpholine-3-carboxamide;(3R)-4-propan-2-ylmorpholine-3-carboxamide;4-propan-2-ylmorpholine-3-carboxamide;1-[(2S)-4-propan-2-ylmorpholin-2-yl]ethanone;1-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone;1-(4-propan-2-ylmorpholin-2-yl)ethanone;1-propan-2-ylpiperazine-2-carboxamide;(2S)-1-propan-2-ylpiperazine-2-carboxamide;(2R)-1-propan-2-ylpiperazine-2-carboxamide;1-[(2S)-4-propan-2-ylpiperazin-2-yl]ethanone;1-[(2R)-4-propan-2-ylpiperazin-2-yl]ethanone;1-(4-propan-2-ylpiperazin-2-yl)ethanone;1-(1-propan-2-ylpiperidin-3-yl)ethanone;1-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(3R)-1-propan-2-ylpiperidin-3-yl]ethanone;1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone;1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanone |
| SMILES | CC(=O)C1CCCN(C(C)C)C1.CC(=O)C1CN(C(C)C)CCN1.CC(=O)C1CN(C(C)C)CCN1C.CC(=O)C1CN(C(C)C)CCO1.CC(=O)[C@@H]1CCCN(C(C)C)C1.CC(=O)[C@@H]1CCCN1C(C)C.CC(=O)[C@@H]1CN(C(C)C)CCN1.CC(=O)[C@@H]1CN(C(C)C)CCN1C.CC(=O)[C@@H]1CN(C(C)C)CCO1.CC(=O)[C@H]1CCCN(C(C)C)C1.CC(=O)[C@H]1CCCN1C(C)C.CC(=O)[C@H]1CN(C(C)C)CCN1.CC(=O)[C@H]1CN(C(C)C)CCN1C.CC(=O)[C@H]1CN(C(C)C)CCO1.CC(C)N1CCN(C)CC1CO.CC(C)N1CCN(C)C[C@@H]1CO.CC(C)N1CCN(C)C[C@H]1CO.CC(C)N1CCNCC1C(N)=O.CC(C)N1CCNC[C@@H]1C(N)=O.CC(C)N1CCNC[C@H]1C(N)=O.CC(C)N1CCOCC1C(N)=O.CC(C)N1CCOC[C@@H]1C(N)=O.CC(C)N1CCOC[C@H]1C(N)=O.CCC1CN(C(C)C)CCN1.CCC1CN(C(C)C)CCN1C.CCC1CN(C(C)C)CCO1.CC[C@@H]1CN(C(C)C)CCN1.CC[C@@H]1CN(C(C)C)CCN1C.CC[C@@H]1CN(C(C)C)CCO1.CC[C@H]1CN(C(C)C)CCN1.CC[C@H]1CN(C(C)C)CCN1C.CC[C@H]1CN(C(C)C)CCO1 |
| InChI | InChI=1S/3C10H20N2O.3C10H22N2.3C10H19NO.3C9H20N2O.3C9H18N2O.3C9H20N2.3C9H17NO2.2C9H17NO.3C9H19NO.3C8H17N3O.3C8H16N2O2/c3*1-8(2)12-6-5-11(4)10(7-12)9(3)13;3*1-5-10-8-12(9(2)3)7-6-11(10)4;3*1-8(2)11-6-4-5-10(7-11)9(3)12;3*1-8(2)11-5-4-10(3)6-9(11)7-12;3*1-7(2)11-5-4-10-9(6-11)8(3)12;3*1-4-9-7-11(8(2)3)6-5-10-9;3*1-7(2)10-4-5-12-9(6-10)8(3)11;2*1-7(2)10-6-4-5-9(10)8(3)11;3*1-4-9-7-10(8(2)3)5-6-11-9;3*1-6(2)11-4-3-10-5-7(11)8(9)12;3*1-6(2)10-3-4-12-5-7(10)8(9)11/h3*8,10H,5-7H2,1-4H3;3*9-10H,5-8H2,1-4H3;3*8,10H,4-7H2,1-3H3;3*8-9,12H,4-7H2,1-3H3;3*7,9-10H,4-6H2,1-3H3;3*8-10H,4-7H2,1-3H3;3*7,9H,4-6H2,1-3H3;2*7,9H,4-6H2,1-3H3;3*8-9H,4-7H2,1-3H3;3*6-7,10H,3-5H2,1-2H3,(H2,9,12);3*6-7H,3-5H2,1-2H3,(H2,9,11)/t2*10-;;2*10-;;2*10-;;2*9-;;2*9-;;2*9-;;2*9-;;4*9-;;2*7-;;2*7-;/m10.10.10.10.10.10.10.1010.10.10./s1 |
| InChIKey | IPUNSIHIBTWNIX-RCMHFIHYSA-N |
| XLogP | 20.84 |
| TPSA | 882.39 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 82 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 379 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5394.35 |
| LogP ≤ 5 | 20.84 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 82 |