C137H276N26O3 — CID 160606785
1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine (PubChem CID 160606785) has the molecular formula C137H276N26O3 and a molecular weight of 2335.89 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine.
| Compound Name | 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine |
|---|---|
| PubChem CID | 160606785 |
| Molecular Formula | C137H276N26O3 |
| Molecular Weight | 2335.89 g/mol |
| Exact Mass | 2334.22 |
| IUPAC Name | 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-cyclopropylpiperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;(1-tert-butylpiperidin-4-yl) 4-methyl-1,4-diazepane-1-carboxylate;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]ethanone;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine |
| SMILES | CC(=O)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(N2CCN(C3CC3)CC2)CC1.CC(C)(C)N1CCN(C2CCNCC2)CC1.CC(C)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CCN1CCN(C2CCN(C(C)(C)C)CC2)CC1.CN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CN1CCCN(C(=O)OC2CCN(C(C)(C)C)CC2)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1 |
| InChI | InChI=1S/C17H35N3.C16H31N3O2.C16H31N3.C16H33N3.C15H29N3O.C15H31N3.C15H30N2.C14H29N3.C13H27N3/c1-16(2,3)19-9-7-15(8-10-19)18-11-13-20(14-12-18)17(4,5)6;1-16(2,3)19-10-6-14(7-11-19)21-15(20)18-9-5-8-17(4)12-13-18;1-16(2,3)19-8-6-15(7-9-19)18-12-10-17(11-13-18)14-4-5-14;1-14(2)17-10-12-18(13-11-17)15-6-8-19(9-7-15)16(3,4)5;1-13(19)16-9-11-17(12-10-16)14-5-7-18(8-6-14)15(2,3)4;1-5-16-10-12-17(13-11-16)14-6-8-18(9-7-14)15(2,3)4;1-15(2,3)13-5-11-17(12-6-13)14-7-9-16(4)10-8-14;1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12/h15H,7-14H2,1-6H3;14H,5-13H2,1-4H3;14-15H,4-13H2,1-3H3;14-15H,6-13H2,1-5H3;14H,5-12H2,1-4H3;14H,5-13H2,1-4H3;13-14H,5-12H2,1-4H3;13H,5-12H2,1-4H3;12,14H,4-11H2,1-3H3 |
| InChIKey | REYZBHWEUYZJQD-UHFFFAOYSA-N |
| XLogP | 17.78 |
| TPSA | 136.40 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 166 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2335.89 |
| LogP ≤ 5 | 17.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 27 |