C94H199F2N13O3 — CID 160970266
4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;4-fluoro-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)azetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine (PubChem CID 160970266) has the molecular formula C94H199F2N13O3 and a molecular weight of 1597.71 g/mol. Its IUPAC name is 4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;4-fluoro-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)azetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine.
| Compound Name | 4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;4-fluoro-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)azetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine |
|---|---|
| PubChem CID | 160970266 |
| Molecular Formula | C94H199F2N13O3 |
| Molecular Weight | 1597.71 g/mol |
| Exact Mass | 1596.58 |
| IUPAC Name | 4-fluoro-4-methyl-1-(2-methylpropyl)piperidine;4-fluoro-1-(2-methylpropyl)piperidine;3-methyl-1-(2-methylpropyl)azetidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperidine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine;1-(2-propan-2-yloxyethyl)pyrrolidine;1-propan-2-ylpyrrolidine |
| SMILES | CC(C)C1CCN(C)CC1.CC(C)CN1CC(C)C1.CC(C)CN1CCC(C)(F)CC1.CC(C)CN1CCC(F)CC1.CC(C)CN1CCCC1.CC(C)CN1CCOCC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)NC1CCN(C)CC1.CC(C)OC1CCN(C)CC1.CC(C)OCCN1CCCC1 |
| InChI | InChI=1S/C10H20FN.C9H18FN.C9H20N2.2C9H19NO.C9H19N.C8H18N2.C8H17NO.2C8H17N.C7H15N/c1-9(2)8-12-6-4-10(3,11)5-7-12;1-8(2)7-11-5-3-9(10)4-6-11;1-8(2)10-9-4-6-11(3)7-5-9;1-8(2)11-9-4-6-10(3)7-5-9;1-9(2)11-8-7-10-5-3-4-6-10;1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-7(2)4-9-5-8(3)6-9;1-8(2)7-9-5-3-4-6-9;1-7(2)8-5-3-4-6-8/h9H,4-8H2,1-3H3;8-9H,3-7H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;9H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3 |
| InChIKey | SYDSRHBMOZWMMG-UHFFFAOYSA-N |
| XLogP | 17.06 |
| TPSA | 78.60 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 112 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1597.71 |
| LogP ≤ 5 | 17.06 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 16 |