C196H370F2N18O8 — CID 158381038
4-tert-butyl-1-(cyclobutylmethyl)-4-methylpiperidine;4-tert-butyl-1-(cyclopropylmethyl)-4-isocyanopiperidine;[4-tert-butyl-1-(cyclopropylmethyl)piperidin-4-yl]methanol;4-tert-butyl-1-(3-fluorocyclobutyl)piperidine;4-tert-butyl-1-(2-fluoro-2-methylpropyl)-4-methylpiperidine;4-tert-butyl-1-[(1-isocyanocyclobutyl)methyl]-4-methylpiperidine;4-tert-butyl-1-[(1-isocyanocyclopropyl)methyl]-4-methylpiperidine;1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropan-1-amine;1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropan-1-ol;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-methylpropan-2-ol;4-tert-butyl-1-(oxetan-3-yl)piperidine;(4-tert-butylpiperidin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-ol;methyl 4-tert-butyl-1-(cyclopropylmethyl)piperidine-4-carboxylate (PubChem CID 158381038) has the molecular formula C196H370F2N18O8 and a molecular weight of 3145.23 g/mol. Its IUPAC name is 4-tert-butyl-1-(cyclobutylmethyl)-4-methylpiperidine;4-tert-butyl-1-(cyclopropylmethyl)-4-isocyanopiperidine;[4-tert-butyl-1-(cyclopropylmethyl)piperidin-4-yl]methanol;4-tert-butyl-1-(3-fluorocyclobutyl)piperidine;4-tert-butyl-1-(2-fluoro-2-methylpropyl)-4-methylpiperidine;4-tert-butyl-1-[(1-isocyanocyclobutyl)methyl]-4-methylpiperidine;4-tert-butyl-1-[(1-isocyanocyclopropyl)methyl]-4-methylpiperidine;1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropan-1-amine;1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropan-1-ol;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-methylpropan-2-ol;4-tert-butyl-1-(oxetan-3-yl)piperidine;(4-tert-butylpiperidin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-ol;methyl 4-tert-butyl-1-(cyclopropylmethyl)piperidine-4-carboxylate.
| Compound Name | 4-tert-butyl-1-(cyclobutylmethyl)-4-methylpiperidine;4-tert-butyl-1-(cyclopropylmethyl)-4-isocyanopiperidine;[4-tert-butyl-1-(cyclopropylmethyl)piperidin-4-yl]methanol;4-tert-butyl-1-(3-fluorocyclobutyl)piperidine;4-tert-butyl-1-(2-fluoro-2-methylpropyl)-4-methylpiperidine;4-tert-butyl-1-[(1-isocyanocyclobutyl)methyl]-4-methylpiperidine;4-tert-butyl-1-[(1-isocyanocyclopropyl)methyl]-4-methylpiperidine;1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropan-1-amine;1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropan-1-ol;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-methylpropan-2-ol;4-tert-butyl-1-(oxetan-3-yl)piperidine;(4-tert-butylpiperidin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-ol;methyl 4-tert-butyl-1-(cyclopropylmethyl)piperidine-4-carboxylate |
|---|---|
| PubChem CID | 158381038 |
| Molecular Formula | C196H370F2N18O8 |
| Molecular Weight | 3145.23 g/mol |
| Exact Mass | 3142.91 |
| IUPAC Name | 4-tert-butyl-1-(cyclobutylmethyl)-4-methylpiperidine;4-tert-butyl-1-(cyclopropylmethyl)-4-isocyanopiperidine;[4-tert-butyl-1-(cyclopropylmethyl)piperidin-4-yl]methanol;4-tert-butyl-1-(3-fluorocyclobutyl)piperidine;4-tert-butyl-1-(2-fluoro-2-methylpropyl)-4-methylpiperidine;4-tert-butyl-1-[(1-isocyanocyclobutyl)methyl]-4-methylpiperidine;4-tert-butyl-1-[(1-isocyanocyclopropyl)methyl]-4-methylpiperidine;1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropan-1-amine;1-[(4-tert-butyl-4-methylpiperidin-1-yl)methyl]cyclopropan-1-ol;1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-methylpropan-2-ol;4-tert-butyl-1-(oxetan-3-yl)piperidine;(4-tert-butylpiperidin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperidin-1-yl)-2-methylpropan-2-ol;methyl 4-tert-butyl-1-(cyclopropylmethyl)piperidine-4-carboxylate |
| SMILES | CC(C)(C)C1(C)CCN(CC2(N)CC2)CC1.CC(C)(C)C1(C)CCN(CC2(O)CC2)CC1.CC(C)(C)C1(C)CCN(CC2CCC2)CC1.CC(C)(C)C1(CO)CCN(CC2CC2)CC1.CC(C)(C)C1CCN(C(=O)C2CC2)CC1.CC(C)(C)C1CCN(C2CC(F)C2)CC1.CC(C)(C)C1CCN(C2COC2)CC1.CC(C)(F)CN1CCC(C)(C(C)(C)C)CC1.CC(C)(O)CN1CCC(C(C)(C)C)CC1.CC(C)(O)CN1CCC(C)(C(C)(C)C)CC1.COC(=O)C1(C(C)(C)C)CCN(CC2CC2)CC1.[C-]#[N+]C1(C(C)(C)C)CCN(CC2CC2)CC1.[C-]#[N+]C1(CN2CCC(C)(C(C)(C)C)CC2)CC1.[C-]#[N+]C1(CN2CCC(C)(C(C)(C)C)CC2)CCC1 |
| InChI | InChI=1S/C16H28N2.C15H26N2.C15H27NO2.C15H29N.C14H28FN.C14H24N2.C14H28N2.2C14H27NO.C14H29NO.C13H24FN.C13H23NO.C13H27NO.C12H23NO/c1-14(2,3)15(4)9-11-18(12-10-15)13-16(17-5)7-6-8-16;1-13(2,3)14(4)8-10-17(11-9-14)12-15(16-5)6-7-15;1-14(2,3)15(13(17)18-4)7-9-16(10-8-15)11-12-5-6-12;1-14(2,3)15(4)8-10-16(11-9-15)12-13-6-5-7-13;1-12(2,3)14(6)7-9-16(10-8-14)11-13(4,5)15;1-13(2,3)14(15-4)7-9-16(10-8-14)11-12-5-6-12;1-12(2,3)13(4)7-9-16(10-8-13)11-14(15)5-6-14;1-12(2,3)13(4)7-9-15(10-8-13)11-14(16)5-6-14;1-13(2,3)14(11-16)6-8-15(9-7-14)10-12-4-5-12;1-12(2,3)14(6)7-9-15(10-8-14)11-13(4,5)16;1-13(2,3)10-4-6-15(7-5-10)12-8-11(14)9-12;1-13(2,3)11-6-8-14(9-7-11)12(15)10-4-5-10;1-12(2,3)11-6-8-14(9-7-11)10-13(4,5)15;1-12(2,3)10-4-6-13(7-5-10)11-8-14-9-11/h6-13H2,1-4H3;6-12H2,1-4H3;12H,5-11H2,1-4H3;13H,5-12H2,1-4H3;7-11H2,1-6H3;12H,5-11H2,1-3H3;5-11,15H2,1-4H3;16H,5-11H2,1-4H3;12,16H,4-11H2,1-3H3;16H,7-11H2,1-6H3;10-12H,4-9H2,1-3H3;10-11H,4-9H2,1-3H3;11,15H,6-10H2,1-5H3;10-11H,4-9H2,1-3H3 |
| InChIKey | GVUFTZBSWLZCJZ-UHFFFAOYSA-N |
| XLogP | 42.57 |
| TPSA | 217.98 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3145.23 |
| LogP ≤ 5 | 42.57 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|