C110H220F3N17O4 — CID 160913140
1-tert-butyl-N-ethylpiperidin-4-amine;1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine;1-tert-butyl-4-(4-fluoropiperidin-1-yl)piperidine;1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)azetidin-3-ol;1-(1-tert-butylpiperidin-4-yl)piperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 160913140) has the molecular formula C110H220F3N17O4 and a molecular weight of 1902.08 g/mol. Its IUPAC name is 1-tert-butyl-N-ethylpiperidin-4-amine;1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine;1-tert-butyl-4-(4-fluoropiperidin-1-yl)piperidine;1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)azetidin-3-ol;1-(1-tert-butylpiperidin-4-yl)piperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine.
| Compound Name | 1-tert-butyl-N-ethylpiperidin-4-amine;1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine;1-tert-butyl-4-(4-fluoropiperidin-1-yl)piperidine;1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)azetidin-3-ol;1-(1-tert-butylpiperidin-4-yl)piperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine |
|---|---|
| PubChem CID | 160913140 |
| Molecular Formula | C110H220F3N17O4 |
| Molecular Weight | 1902.08 g/mol |
| Exact Mass | 1900.75 |
| IUPAC Name | 1-tert-butyl-N-ethylpiperidin-4-amine;1-tert-butyl-4-(3-fluoroazetidin-1-yl)piperidine;1-tert-butyl-4-(4-fluoropiperidin-1-yl)piperidine;1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine;1-tert-butylpiperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)azetidin-3-ol;1-(1-tert-butylpiperidin-4-yl)piperidin-4-ol;1-(1-tert-butylpiperidin-4-yl)pyrrolidin-3-ol;1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine |
| SMILES | CC(C)(C)N1CCC(N2CC(F)C2)CC1.CC(C)(C)N1CCC(N2CC(O)C2)CC1.CC(C)(C)N1CCC(N2CCC(F)C2)CC1.CC(C)(C)N1CCC(N2CCC(F)CC2)CC1.CC(C)(C)N1CCC(N2CCC(O)C2)CC1.CC(C)(C)N1CCC(N2CCC(O)CC2)CC1.CC(C)(C)N1CCC(N2CCCC2)C1.CC(C)(C)N1CCC(O)CC1.CCNC1CCN(C(C)(C)C)CC1 |
| InChI | InChI=1S/C14H27FN2.C14H28N2O.C13H25FN2.C13H26N2O.C12H23FN2.C12H24N2O.C12H24N2.C11H24N2.C9H19NO/c1-14(2,3)17-10-6-13(7-11-17)16-8-4-12(15)5-9-16;1-14(2,3)16-10-4-12(5-11-16)15-8-6-13(17)7-9-15;1-13(2,3)16-8-5-12(6-9-16)15-7-4-11(14)10-15;1-13(2,3)15-8-4-11(5-9-15)14-7-6-12(16)10-14;1-12(2,3)15-6-4-11(5-7-15)14-8-10(13)9-14;1-12(2,3)14-6-4-10(5-7-14)13-8-11(15)9-13;1-12(2,3)14-9-6-11(10-14)13-7-4-5-8-13;1-5-12-10-6-8-13(9-7-10)11(2,3)4;1-9(2,3)10-6-4-8(11)5-7-10/h12-13H,4-11H2,1-3H3;12-13,17H,4-11H2,1-3H3;11-12H,4-10H2,1-3H3;11-12,16H,4-10H2,1-3H3;10-11H,4-9H2,1-3H3;10-11,15H,4-9H2,1-3H3;11H,4-10H2,1-3H3;10,12H,5-9H2,1-4H3;8,11H,4-7H2,1-3H3 |
| InChIKey | SRBCDCDULONCEC-UHFFFAOYSA-N |
| XLogP | 15.88 |
| TPSA | 144.79 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 134 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1902.08 |
| LogP ≤ 5 | 15.88 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 21 |