C153H313FN24O13S — CID 161229290
1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 161229290) has the molecular formula C153H313FN24O13S and a molecular weight of 2748.41 g/mol. Its IUPAC name is 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
| Compound Name | 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide |
|---|---|
| PubChem CID | 161229290 |
| Molecular Formula | C153H313FN24O13S |
| Molecular Weight | 2748.41 g/mol |
| Exact Mass | 2746.43 |
| IUPAC Name | 1-tert-butyl-4-(cyclopropylmethyl)piperazine;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;bis(1-(4-tert-butylpiperazin-1-yl)ethanone);1-tert-butylpiperidine;1-tert-butylpiperidin-3-one;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;(1-tert-butylpiperidin-2-yl) formate;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-4-propylpiperazine;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide |
| SMILES | CC(=O)COC1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(C(=O)NS(=O)(=O)N2CCCC2)CC1.CC(C)(C)N1CCCC(=O)C1.CC(C)(C)N1CCCC(NCCO)C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1OC=O.CC(C)(C)N1CCN(CC2CC2)CC1.CC(F)CNC1CCCN(C(C)(C)C)C1.CCCN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.COCCC1CCN(C(C)(C)C)C(C)C1.COCCN1CCN(C(C)(C)C)CC1 |
| InChI | InChI=1S/C14H27N3O3S.C13H27NO.C12H25FN2.C12H24N2.C12H23NO2.2C11H24N2O.C11H24N2.2C10H20N2O.C10H19NO2.C9H20N2.C9H17NO.C9H19N/c1-14(2,3)16-10-6-12(7-11-16)13(18)15-21(19,20)17-8-4-5-9-17;1-11-10-12(7-9-15-5)6-8-14(11)13(2,3)4;1-10(13)8-14-11-6-5-7-15(9-11)12(2,3)4;1-12(2,3)14-8-6-13(7-9-14)10-11-4-5-11;1-10(14)9-15-11-5-7-13(8-6-11)12(2,3)4;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-11(2,3)13-7-4-5-10(9-13)12-6-8-14;1-5-6-12-7-9-13(10-8-12)11(2,3)4;2*1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-10(2,3)11-7-5-4-6-9(11)13-8-12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-6-4-5-8(11)7-10;1-9(2,3)10-7-5-4-6-8-10/h12H,4-11H2,1-3H3,(H,15,18);11-12H,6-10H2,1-5H3;10-11,14H,5-9H2,1-4H3;11H,4-10H2,1-3H3;11H,5-9H2,1-4H3;5-10H2,1-4H3;10,12,14H,4-9H2,1-3H3;5-10H2,1-4H3;2*5-8H2,1-4H3;8-9H,4-7H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3 |
| InChIKey | UYNPYSFHQVWLBP-UHFFFAOYSA-N |
| XLogP | 21.85 |
| TPSA | 297.84 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 192 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2748.41 |
| LogP ≤ 5 | 21.85 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
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