C177H364F6N18O22 — CID 159741004
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperidine-3,4-diol;1-tert-butyl-4-ethylpiperidin-4-ol;1-tert-butyl-4-(hydroxymethyl)piperidin-4-ol;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylpiperidine-3,4-diol;1-tert-butyl-4-methylpiperidine-3,4-diol;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine-3,4-diol;1-(1-tert-butylpiperidin-2-yl)cyclopropan-1-ol;1-(1-tert-butylpiperidin-2-yl)ethanol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;2-(1-tert-butylpiperidin-2-yl)propan-2-ol;1-tert-butyl-4-(trifluoromethyl)piperidine-3,4-diol;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 159741004) has the molecular formula C177H364F6N18O22 and a molecular weight of 3210.95 g/mol. Its IUPAC name is 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperidine-3,4-diol;1-tert-butyl-4-ethylpiperidin-4-ol;1-tert-butyl-4-(hydroxymethyl)piperidin-4-ol;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylpiperidine-3,4-diol;1-tert-butyl-4-methylpiperidine-3,4-diol;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine-3,4-diol;1-(1-tert-butylpiperidin-2-yl)cyclopropan-1-ol;1-(1-tert-butylpiperidin-2-yl)ethanol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;2-(1-tert-butylpiperidin-2-yl)propan-2-ol;1-tert-butyl-4-(trifluoromethyl)piperidine-3,4-diol;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol.
| Compound Name | 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperidine-3,4-diol;1-tert-butyl-4-ethylpiperidin-4-ol;1-tert-butyl-4-(hydroxymethyl)piperidin-4-ol;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylpiperidine-3,4-diol;1-tert-butyl-4-methylpiperidine-3,4-diol;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine-3,4-diol;1-(1-tert-butylpiperidin-2-yl)cyclopropan-1-ol;1-(1-tert-butylpiperidin-2-yl)ethanol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;2-(1-tert-butylpiperidin-2-yl)propan-2-ol;1-tert-butyl-4-(trifluoromethyl)piperidine-3,4-diol;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol |
|---|---|
| PubChem CID | 159741004 |
| Molecular Formula | C177H364F6N18O22 |
| Molecular Weight | 3210.95 g/mol |
| Exact Mass | 3208.78 |
| IUPAC Name | 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperidine-3,4-diol;1-tert-butyl-4-ethylpiperidin-4-ol;1-tert-butyl-4-(hydroxymethyl)piperidin-4-ol;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methylpiperidine-3,4-diol;1-tert-butyl-4-methylpiperidine-3,4-diol;1-tert-butyl-4-methylpiperidin-4-ol;1-tert-butylpiperidine-3,4-diol;1-(1-tert-butylpiperidin-2-yl)cyclopropan-1-ol;1-(1-tert-butylpiperidin-2-yl)ethanol;(1-tert-butylpiperidin-2-yl)methanol;(1-tert-butylpiperidin-3-yl)methanol;(1-tert-butylpiperidin-4-yl)methanol;2-(1-tert-butylpiperidin-2-yl)propan-2-ol;1-tert-butyl-4-(trifluoromethyl)piperidine-3,4-diol;1-tert-butyl-4-(trifluoromethyl)piperidin-4-ol |
| SMILES | CC(C)(C)N1CCC(CO)CC1.CC(C)(C)N1CCC(O)(C(F)(F)F)C(O)C1.CC(C)(C)N1CCC(O)(C(F)(F)F)CC1.CC(C)(C)N1CCC(O)(CO)CC1.CC(C)(C)N1CCC(O)C(O)C1.CC(C)(C)N1CCCC(CO)C1.CC(C)(C)N1CCCCC1C1(O)CC1.CC(C)(C)N1CCCCC1CO.CC(C)(O)C1CCCCN1C(C)(C)C.CC(O)C1CCCCN1C(C)(C)C.CC1(O)CCN(C(C)(C)C)CC1.CC1(O)CCN(C(C)(C)C)CC1O.CC1(O)CN(C(C)(C)C)CCC1O.CCC1(O)CCN(C(C)(C)C)CC1.CCC1(O)CCN(C(C)(C)C)CC1O.CN(C)C1CCN(C(C)(C)C)CC1.COC1CCN(C(C)(C)C)CC1 |
| InChI | InChI=1S/C12H23NO.C12H25NO.C11H24N2.C11H23NO2.2C11H23NO.C10H18F3NO2.C10H18F3NO.3C10H21NO2.5C10H21NO.C9H19NO2/c1-11(2,3)13-9-5-4-6-10(13)12(14)7-8-12;1-11(2,3)13-9-7-6-8-10(13)12(4,5)14;1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-5-11(14)6-7-12(8-9(11)13)10(2,3)4;1-9(13)10-7-5-6-8-12(10)11(2,3)4;1-5-11(13)6-8-12(9-7-11)10(2,3)4;1-8(2,3)14-5-4-9(16,7(15)6-14)10(11,12)13;1-8(2,3)14-6-4-9(15,5-7-14)10(11,12)13;1-9(2,3)11-6-5-10(4,13)8(12)7-11;1-9(2,3)11-6-5-8(12)10(4,13)7-11;1-9(2,3)11-6-4-10(13,8-12)5-7-11;1-10(2,3)11-7-5-9(12-4)6-8-11;1-9(2,3)11-7-5-10(4,12)6-8-11;1-10(2,3)11-6-4-9(8-12)5-7-11;1-10(2,3)11-6-4-5-9(7-11)8-12;1-10(2,3)11-7-5-4-6-9(11)8-12;1-9(2,3)10-5-4-7(11)8(12)6-10/h10,14H,4-9H2,1-3H3;10,14H,6-9H2,1-5H3;10H,6-9H2,1-5H3;9,13-14H,5-8H2,1-4H3;9-10,13H,5-8H2,1-4H3;13H,5-9H2,1-4H3;7,15-16H,4-6H2,1-3H3;15H,4-7H2,1-3H3;2*8,12-13H,5-7H2,1-4H3;12-13H,4-8H2,1-3H3;9H,5-8H2,1-4H3;12H,5-8H2,1-4H3;3*9,12H,4-8H2,1-3H3;7-8,11-12H,4-6H2,1-3H3 |
| InChIKey | NCLLMZKGPPMPTQ-UHFFFAOYSA-N |
| XLogP | 24.90 |
| TPSA | 492.38 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 223 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3210.95 |
| LogP ≤ 5 | 24.90 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 40 |