C130H277N21O8 — CID 159609006
1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone (PubChem CID 159609006) has the molecular formula C130H277N21O8 and a molecular weight of 2262.78 g/mol. Its IUPAC name is 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone.
| Compound Name | 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone |
|---|---|
| PubChem CID | 159609006 |
| Molecular Formula | C130H277N21O8 |
| Molecular Weight | 2262.78 g/mol |
| Exact Mass | 2261.19 |
| IUPAC Name | 1-[4-(tert-butylamino)piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone |
| SMILES | CC(=O)N1CCC(NC(C)(C)C)CC1.CC(=O)N1CCN(CCOC(C)(C)C)CC1.CC(C)(C)NC1CCCCC1.CC(C)(C)OCCN1CCOCC1.CN1CCC(CNC(C)(C)C)CC1.CN1CCC(CNC(C)(C)C)CC1.CN1CCC(COC(C)(C)C)CC1.CN1CCC(NC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCC(C)(C)C)CC1.CN1CCN(CCOC(C)(C)C)CC1.CN1CCN(CCOC(C)(C)C)CC1 |
| InChI | InChI=1S/C12H24N2O2.2C11H24N2O.C11H22N2O.4C11H24N2.C11H23NO.C10H22N2.C10H21NO2.C10H21N/c1-11(15)14-7-5-13(6-8-14)9-10-16-12(2,3)4;2*1-11(2,3)14-10-9-13-7-5-12(4)6-8-13;1-9(14)13-7-5-10(6-8-13)12-11(2,3)4;2*1-11(2,3)12-9-10-5-7-13(4)8-6-10;2*1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)13-9-10-5-7-12(4)8-6-10;1-10(2,3)11-9-5-7-12(4)8-6-9;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-10(2,3)11-9-7-5-4-6-8-9/h5-10H2,1-4H3;2*5-10H2,1-4H3;10,12H,5-8H2,1-4H3;2*10,12H,5-9H2,1-4H3;2*5-10H2,1-4H3;10H,5-9H2,1-4H3;9,11H,5-8H2,1-4H3;4-9H2,1-3H3;9,11H,4-8H2,1-3H3 |
| InChIKey | MMKYZFZLRINOMG-UHFFFAOYSA-N |
| XLogP | 18.67 |
| TPSA | 201.51 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 159 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2262.78 |
| LogP ≤ 5 | 18.67 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 27 |