C153H284F3N29O8S — CID 167708404
3,3-difluoro-1-propan-2-ylpiperidine;3-fluoro-1-propan-2-ylpiperidin-4-amine;4-imidazol-1-yl-3,3-dimethyl-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-ol;4-methylsulfonyl-1-propan-2-ylpiperidine;4-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine;4-(oxetan-3-yl)-1-propan-2-ylpiperidine;3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;1-propan-2-ylpiperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-ol;2-(1-propan-2-ylpiperidin-4-yl)pyrazine;4-(1-propan-2-ylpiperidin-4-yl)pyridine;2-(1-propan-2-ylpiperidin-4-yl)pyrimidine;1-propan-2-yl-4-pyrazol-1-ylpiperidine (PubChem CID 167708404) has the molecular formula C153H284F3N29O8S and a molecular weight of 2747.21 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylpiperidine;3-fluoro-1-propan-2-ylpiperidin-4-amine;4-imidazol-1-yl-3,3-dimethyl-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-ol;4-methylsulfonyl-1-propan-2-ylpiperidine;4-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine;4-(oxetan-3-yl)-1-propan-2-ylpiperidine;3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;1-propan-2-ylpiperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-ol;2-(1-propan-2-ylpiperidin-4-yl)pyrazine;4-(1-propan-2-ylpiperidin-4-yl)pyridine;2-(1-propan-2-ylpiperidin-4-yl)pyrimidine;1-propan-2-yl-4-pyrazol-1-ylpiperidine.
| Compound Name | 3,3-difluoro-1-propan-2-ylpiperidine;3-fluoro-1-propan-2-ylpiperidin-4-amine;4-imidazol-1-yl-3,3-dimethyl-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-ol;4-methylsulfonyl-1-propan-2-ylpiperidine;4-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine;4-(oxetan-3-yl)-1-propan-2-ylpiperidine;3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;1-propan-2-ylpiperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-ol;2-(1-propan-2-ylpiperidin-4-yl)pyrazine;4-(1-propan-2-ylpiperidin-4-yl)pyridine;2-(1-propan-2-ylpiperidin-4-yl)pyrimidine;1-propan-2-yl-4-pyrazol-1-ylpiperidine |
|---|---|
| PubChem CID | 167708404 |
| Molecular Formula | C153H284F3N29O8S |
| Molecular Weight | 2747.21 g/mol |
| Exact Mass | 2745.24 |
| IUPAC Name | 3,3-difluoro-1-propan-2-ylpiperidine;3-fluoro-1-propan-2-ylpiperidin-4-amine;4-imidazol-1-yl-3,3-dimethyl-1-propan-2-ylpiperidine;4-methoxy-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidin-4-ol;4-methylsulfonyl-1-propan-2-ylpiperidine;4-(4-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine;4-(oxetan-3-yl)-1-propan-2-ylpiperidine;3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;1-propan-2-ylpiperidin-3-ol;1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-ol;2-(1-propan-2-ylpiperidin-4-yl)pyrazine;4-(1-propan-2-ylpiperidin-4-yl)pyridine;2-(1-propan-2-ylpiperidin-4-yl)pyrimidine;1-propan-2-yl-4-pyrazol-1-ylpiperidine |
| SMILES | CC(C)N1CC2CC(C1)O2.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(C2COC2)CC1.CC(C)N1CCC(N)C(F)C1.CC(C)N1CCC(N2CC(O)C2)CC1.CC(C)N1CCC(S(C)(=O)=O)CC1.CC(C)N1CCC(c2ccncc2)CC1.CC(C)N1CCC(c2cnccn2)CC1.CC(C)N1CCC(c2ncccn2)CC1.CC(C)N1CCC(c2nncn2C)CC1.CC(C)N1CCC(n2cccn2)CC1.CC(C)N1CCC(n2ccnc2)C(C)(C)C1.CC(C)N1CCCC(F)(F)C1.CC(C)N1CCCC(O)C1.COC1CCN(C(C)C)CC1 |
| InChI | InChI=1S/C13H23N3.C13H20N2.2C12H19N3.C11H20N4.C11H19N3.C11H22N2O.C11H21NO.C9H19NO2S.2C9H19NO.C8H15F2N.C8H17FN2.C8H15NO.C8H17NO/c1-11(2)15-7-5-12(13(3,4)9-15)16-8-6-14-10-16;1-11(2)15-9-5-13(6-10-15)12-3-7-14-8-4-12;1-10(2)15-7-3-11(4-8-15)12-9-13-5-6-14-12;1-10(2)15-8-4-11(5-9-15)12-13-6-3-7-14-12;1-9(2)15-6-4-10(5-7-15)11-13-12-8-14(11)3;1-10(2)13-8-4-11(5-9-13)14-7-3-6-12-14;1-9(2)12-5-3-10(4-6-12)13-7-11(14)8-13;1-9(2)12-5-3-10(4-6-12)11-7-13-8-11;1-8(2)10-6-4-9(5-7-10)13(3,11)12;1-8(2)10-6-4-9(11-3)5-7-10;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)11-5-3-4-8(9,10)6-11;1-6(2)11-4-3-8(10)7(9)5-11;1-6(2)9-4-7-3-8(5-9)10-7;1-7(2)9-5-3-4-8(10)6-9/h6,8,10-12H,5,7,9H2,1-4H3;3-4,7-8,11,13H,5-6,9-10H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3;3,6-7,10-11H,4-5,8-9H2,1-2H3;8-10H,4-7H2,1-3H3;3,6-7,10-11H,4-5,8-9H2,1-2H3;9-11,14H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;8,11H,4-7H2,1-3H3;7H,3-6H2,1-2H3;6-8H,3-5,10H2,1-2H3;6-8H,3-5H2,1-2H3;7-8,10H,3-6H2,1-2H3 |
| InChIKey | ZLOAXQOHMGIUGM-UHFFFAOYSA-N |
| XLogP | 23.25 |
| TPSA | 331.18 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 194 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2747.21 |
| LogP ≤ 5 | 23.25 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 37 |