C214H433N39O4S — CID 157270075
1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine;1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;1-(1-tert-butylpiperidin-4-yl)-N-ethylpiperidine-4-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 157270075) has the molecular formula C214H433N39O4S and a molecular weight of 3649.15 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine;1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;1-(1-tert-butylpiperidin-4-yl)-N-ethylpiperidine-4-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide.
| Compound Name | 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine;1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;1-(1-tert-butylpiperidin-4-yl)-N-ethylpiperidine-4-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide |
|---|---|
| PubChem CID | 157270075 |
| Molecular Formula | C214H433N39O4S |
| Molecular Weight | 3649.15 g/mol |
| Exact Mass | 3646.46 |
| IUPAC Name | 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperazine;1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;1-tert-butyl-4-(4-methylpiperidin-1-yl)piperidine;4-tert-butyl-1-(1-methylpiperidin-4-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)-4-(cyclopropylmethyl)piperazine;1-(1-tert-butylpiperidin-4-yl)-4-ethylpiperazine;1-(1-tert-butylpiperidin-4-yl)-N-ethylpiperidine-4-carboxamide;4-(1-tert-butylpiperidin-4-yl)-1-methylazepane;1-(1-tert-butylpiperidin-4-yl)-4-methylpiperazine;1-(1-tert-butylpiperidin-4-yl)-4-methylsulfonylpiperazine;1-tert-butyl-4-piperidin-4-ylpiperazine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-(1-tert-butylpiperidin-4-yl)-4-propan-2-ylpiperazine;4-(1-tert-butylpiperidin-4-yl)-N-propan-2-ylpiperazine-1-carboxamide |
| SMILES | CC(C)(C)N1CCC(N2CCCCC2)CC1.CC(C)(C)N1CCC(N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCC(N2CCN(CC3CC3)CC2)CC1.CC(C)(C)N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1.CC(C)(C)N1CCN(C2CCNCC2)CC1.CC(C)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CC(C)NC(=O)N1CCN(C2CCN(C(C)(C)C)CC2)CC1.CC1CCN(C2CCN(C(C)(C)C)CC2)CC1.CCN1CCN(C2CCN(C(C)(C)C)CC2)CC1.CCNC(=O)C1CCN(C2CCN(C(C)(C)C)CC2)CC1.CN1CCC(N2CCC(C(C)(C)C)CC2)CC1.CN1CCC(N2CCN(C(C)(C)C)CC2)CC1.CN1CCCC(C2CCN(C(C)(C)C)CC2)CC1.CN1CCN(C2CCN(C(C)(C)C)CC2)CC1 |
| InChI | InChI=1S/C17H34N4O.C17H33N3O.C17H33N3.C17H35N3.C16H33N3.C16H32N2.C15H31N3.2C15H30N2.C14H29N3O2S.2C14H29N3.C14H28N2.C13H27N3/c1-14(2)18-16(22)20-12-10-19(11-13-20)15-6-8-21(9-7-15)17(3,4)5;1-5-18-16(21)14-6-10-19(11-7-14)15-8-12-20(13-9-15)17(2,3)4;1-17(2,3)20-8-6-16(7-9-20)19-12-10-18(11-13-19)14-15-4-5-15;1-16(2,3)19-9-7-15(8-10-19)18-11-13-20(14-12-18)17(4,5)6;1-14(2)17-10-12-18(13-11-17)15-6-8-19(9-7-15)16(3,4)5;1-16(2,3)18-12-8-15(9-13-18)14-6-5-10-17(4)11-7-14;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;1-13-5-9-16(10-6-13)14-7-11-17(12-8-14)15(2,3)4;1-14(2,3)16-7-5-13(6-8-16)15-9-11-17(12-10-15)20(4,18)19;1-14(2,3)17-7-5-13(6-8-17)16-11-9-15(4)10-12-16;1-14(2,3)17-11-9-16(10-12-17)13-5-7-15(4)8-6-13;1-14(2,3)16-11-7-13(8-12-16)15-9-5-4-6-10-15;1-13(2,3)16-10-8-15(9-11-16)12-4-6-14-7-5-12/h14-15H,6-13H2,1-5H3,(H,18,22);14-15H,5-13H2,1-4H3,(H,18,21);15-16H,4-14H2,1-3H3;15H,7-14H2,1-6H3;14-15H,6-13H2,1-5H3;14-15H,5-13H2,1-4H3;14H,5-13H2,1-4H3;2*13-14H,5-12H2,1-4H3;13H,5-12H2,1-4H3;2*13H,5-12H2,1-4H3;13H,4-12H2,1-3H3;12,14H,4-11H2,1-3H3 |
| InChIKey | AYKWMKPISBXQKR-UHFFFAOYSA-N |
| XLogP | 29.94 |
| TPSA | 221.01 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 258 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3649.15 |
| LogP ≤ 5 | 29.94 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 39 |