C285H585F5N48O18S — CID 159481261
4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;(1-propan-2-ylpiperidin-4-yl)methanamine;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one (PubChem CID 159481261) has the molecular formula C285H585F5N48O18S and a molecular weight of 5100.19 g/mol. Its IUPAC name is 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;(1-propan-2-ylpiperidin-4-yl)methanamine;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one.
| Compound Name | 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;(1-propan-2-ylpiperidin-4-yl)methanamine;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one |
|---|---|
| PubChem CID | 159481261 |
| Molecular Formula | C285H585F5N48O18S |
| Molecular Weight | 5100.19 g/mol |
| Exact Mass | 5096.60 |
| IUPAC Name | 4-(aminomethyl)-1-propan-2-ylpiperidin-4-ol;4-(diethylamino)-1-propan-2-ylpiperidin-4-ol;4,4-difluoro-1-propan-2-ylpiperidine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,4-dimethyl-1-propan-2-ylpiperidin-4-amine;4,4-dimethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidin-4-ol;N-(4-ethyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-isocyano-4-methyl-1-propan-2-ylpiperidine;4-methoxy-4-methyl-1-propan-2-ylpiperidine;1-methyl-4-(4-methyl-1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-9-propan-2-yl-1,9-diazaspiro[5.5]undecane;N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidin-4-ol;N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide;N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;4-(4-methyl-1-propan-2-ylpiperidin-4-yl)morpholine;7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpiperidin-4-one;N-(1-propan-2-ylpiperidin-4-yl)acetamide;(1-propan-2-ylpiperidin-4-yl)methanamine;N-(1-propan-2-ylpiperidin-4-yl)methanesulfonamide;N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide;1,1,1-trifluoro-4-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)butan-2-one |
| SMILES | CC(=O)N(C)C1CCN(C(C)C)CC1.CC(=O)NC1(C)CCN(C(C)C)CC1.CC(=O)NC1CCN(C(C)C)CC1.CC(=O)NCC1CCN(C(C)C)CC1.CC(C)N1CCC(=O)CC1.CC(C)N1CCC(C)(C)CC1.CC(C)N1CCC(C)(N)CC1.CC(C)N1CCC(C)(N2CCN(C)CC2)CC1.CC(C)N1CCC(C)(N2CCOCC2)CC1.CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(CN)CC1.CC(C)N1CCC(F)(F)CC1.CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(NS(C)(=O)=O)CC1.CC(C)N1CCC(O)(CCC(=O)C(F)(F)F)CC1.CC(C)N1CCC(O)(CN)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC2(CC1)CNC2.CC(C)N1CCC2(CC1)COC2.CC(C)N1CCC2(CCCCN2C)CC1.CCC1(NC(C)=O)CCN(C(C)C)CC1.CCC1(O)CCN(C(C)C)CC1.CCN(CC)C1(O)CCN(C(C)C)CC1.CNC1(C)CCN(C(C)C)CC1.CNC1CCN(C(C)C)CC1.COC1(C)CCN(C(C)C)CC1.[C-]#[N+]C1(C)CCN(C(C)C)CC1 |
| InChI | InChI=1S/C14H29N3.C13H26N2O.C13H26N2.C12H20F3NO2.C12H24N2O.C12H26N2O.3C11H22N2O.C10H20N2O.C10H20N2.2C10H22N2.C10H18N2.C10H19NO.2C10H21NO.C10H21N.C9H20N2O2S.C9H20N2O.3C9H20N2.C9H19NO.C8H15F2N.C8H18N2.C8H17NO.C8H15NO/c1-13(2)16-7-5-14(3,6-8-16)17-11-9-15(4)10-12-17;1-12(2)14-6-4-13(3,5-7-14)15-8-10-16-11-9-15;1-12(2)15-10-7-13(8-11-15)6-4-5-9-14(13)3;1-9(2)16-7-5-11(18,6-8-16)4-3-10(17)12(13,14)15;1-5-12(13-11(4)15)6-8-14(9-7-12)10(2)3;1-5-14(6-2)12(15)7-9-13(10-8-12)11(3)4;1-9(2)13-7-5-11(6-8-13)12(4)10(3)14;1-9(2)13-7-5-11(4,6-8-13)12-10(3)14;1-9(2)13-6-4-11(5-7-13)8-12-10(3)14;1-8(2)12-6-4-10(5-7-12)11-9(3)13;1-9(2)12-5-3-10(4-6-12)7-11-8-10;1-9(2)12-7-5-10(6-8-12)11(3)4;2*1-9(2)12-7-5-10(3,11-4)6-8-12;1-9(2)11-5-3-10(4-6-11)7-12-8-10;1-9(2)11-7-5-10(3,12-4)6-8-11;1-4-10(12)5-7-11(8-6-10)9(2)3;1-9(2)11-7-5-10(3,4)6-8-11;1-8(2)11-6-4-9(5-7-11)10-14(3,12)13;1-8(2)11-5-3-9(12,7-10)4-6-11;1-8(2)11-6-4-9(10-3)5-7-11;1-8(2)11-6-4-9(3,10)5-7-11;1-8(2)11-5-3-9(7-10)4-6-11;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)11-5-3-8(9,10)4-6-11;1-7(2)10-5-3-8(9)4-6-10;2*1-7(2)9-5-3-8(10)4-6-9/h13H,5-12H2,1-4H3;12H,4-11H2,1-3H3;12H,4-11H2,1-3H3;9,18H,3-8H2,1-2H3;10H,5-9H2,1-4H3,(H,13,15);11,15H,5-10H2,1-4H3;9,11H,5-8H2,1-4H3;9H,5-8H2,1-4H3,(H,12,14);9,11H,4-8H2,1-3H3,(H,12,14);8,10H,4-7H2,1-3H3,(H,11,13);9,11H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;9,11H,5-8H2,1-4H3;9H,5-8H2,1-3H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;9,12H,4-8H2,1-3H3;9H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;8,12H,3-7,10H2,1-2H3;8-10H,4-7H2,1-3H3;8H,4-7,10H2,1-3H3;8-9H,3-7,10H2,1-2H3;8,11H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3 |
| InChIKey | LXALISKMFOPFSY-UHFFFAOYSA-N |
| XLogP | 39.54 |
| TPSA | 620.78 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 59 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 357 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5100.19 |
| LogP ≤ 5 | 39.54 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 59 |