C210H369F3N22O4S — CID 160961388
2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4-tert-butyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;4-ethoxy-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;2-(phenoxymethyl)-1-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidin-4-ol;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine;3-(1-propan-2-ylpyrrolidin-2-yl)pyridine;4-(1-propan-2-ylpyrrolidin-2-yl)pyridine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;2,4,4-trimethyl-1-propan-2-ylpyrrolidine (PubChem CID 160961388) has the molecular formula C210H369F3N22O4S and a molecular weight of 3355.47 g/mol. Its IUPAC name is 2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4-tert-butyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;4-ethoxy-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;2-(phenoxymethyl)-1-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidin-4-ol;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine;3-(1-propan-2-ylpyrrolidin-2-yl)pyridine;4-(1-propan-2-ylpyrrolidin-2-yl)pyridine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;2,4,4-trimethyl-1-propan-2-ylpyrrolidine.
| Compound Name | 2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4-tert-butyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;4-ethoxy-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;2-(phenoxymethyl)-1-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidin-4-ol;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine;3-(1-propan-2-ylpyrrolidin-2-yl)pyridine;4-(1-propan-2-ylpyrrolidin-2-yl)pyridine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;2,4,4-trimethyl-1-propan-2-ylpyrrolidine |
|---|---|
| PubChem CID | 160961388 |
| Molecular Formula | C210H369F3N22O4S |
| Molecular Weight | 3355.47 g/mol |
| Exact Mass | 3352.90 |
| IUPAC Name | 2-benzyl-1-propan-2-ylpyrrolidine;3-benzyl-1-propan-2-ylpyrrolidine;4-tert-butyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpyrrolidine;4-ethoxy-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;2-methyl-1-propan-2-ylpiperidine;2-(phenoxymethyl)-1-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylpyrrolidine;3-phenyl-1-propan-2-ylpyrrolidine;1-propan-2-ylpiperidin-4-ol;2-(1-propan-2-ylpyrrolidin-2-yl)pyridine;3-(1-propan-2-ylpyrrolidin-2-yl)pyridine;4-(1-propan-2-ylpyrrolidin-2-yl)pyridine;1-propan-2-yl-2-thiophen-2-ylpyrrolidine;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine;2,4,4-trimethyl-1-propan-2-ylpyrrolidine |
| SMILES | CC(C)N1CC(C)(C)CC1C.CC(C)N1CCC(C(C)(C)C)CC1.CC(C)N1CCC(C)(C)C1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(Cc2ccccc2)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCC(c2ccccc2)C1.CC(C)N1CCCC(C)(C)C1.CC(C)N1CCCC1C(F)(F)F.CC(C)N1CCCC1COc1ccccc1.CC(C)N1CCCC1Cc1ccccc1.CC(C)N1CCCC1c1ccccc1.CC(C)N1CCCC1c1ccccn1.CC(C)N1CCCC1c1cccnc1.CC(C)N1CCCC1c1cccs1.CC(C)N1CCCC1c1ccncc1.CC(C)N1CCCCC1C.CCOC1CCN(C(C)C)CC1.COC1CCN(C(C)C)CC1 |
| InChI | InChI=1S/C14H21NO.2C14H21N.2C13H19N.3C12H18N2.C12H25N.C11H17NS.C10H21NO.3C10H21N.C9H19NO.2C9H19N.C8H14F3N.C8H17NO/c1-12(2)15-10-6-7-13(15)11-16-14-8-4-3-5-9-14;1-12(2)15-10-6-9-14(15)11-13-7-4-3-5-8-13;1-12(2)15-9-8-14(11-15)10-13-6-4-3-5-7-13;1-11(2)14-10-6-9-13(14)12-7-4-3-5-8-12;1-11(2)14-9-8-13(10-14)12-6-4-3-5-7-12;1-10(2)14-8-4-6-12(14)11-5-3-7-13-9-11;1-10(2)14-9-3-4-12(14)11-5-7-13-8-6-11;1-10(2)14-9-5-7-12(14)11-6-3-4-8-13-11;1-10(2)13-8-6-11(7-9-13)12(3,4)5;1-9(2)12-7-3-5-10(12)11-6-4-8-13-11;1-4-12-10-5-7-11(8-6-10)9(2)3;1-8(2)11-7-10(4,5)6-9(11)3;1-9(2)11-7-5-10(3,4)6-8-11;1-9(2)11-7-5-6-10(3,4)8-11;1-8(2)10-6-4-9(11-3)5-7-10;1-8(2)10-6-5-9(3,4)7-10;1-8(2)10-7-5-4-6-9(10)3;1-6(2)12-5-3-4-7(12)8(9,10)11;1-7(2)9-5-3-8(10)4-6-9/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3;3-5,7-8,12,14H,6,9-11H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;3-5,7-8,11,13H,6,9-10H2,1-2H3;3-7,11,13H,8-10H2,1-2H3;3,5,7,9-10,12H,4,6,8H2,1-2H3;5-8,10,12H,3-4,9H2,1-2H3;3-4,6,8,10,12H,5,7,9H2,1-2H3;10-11H,6-9H2,1-5H3;4,6,8-10H,3,5,7H2,1-2H3;9-10H,4-8H2,1-3H3;8-9H,6-7H2,1-5H3;2*9H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;8H,5-7H2,1-4H3;8-9H,4-7H2,1-3H3;6-7H,3-5H2,1-2H3;7-8,10H,3-6H2,1-2H3 |
| InChIKey | SXBBKQYZGUDJEJ-UHFFFAOYSA-N |
| XLogP | 48.06 |
| TPSA | 148.15 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 240 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3355.47 |
| LogP ≤ 5 | 48.06 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 27 |