1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C110H216F2N18O18 — CID 160398075

IUPAC1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCCC(C)(CC(=O)N1CCN(CC1)C(C)(C)C)O.CC(C)CC(C(=O)N1CCN(CC1)C(C)(C)C)O.CC(C)C(C(=O)N1CCN(CC1)C(C)(C)C)O.CC(C)N1CCN(CC1)C(=O)CC(C)O.CC(C)N1CCN(CC1)C(=O)CC(C)(C)O.CC(C)N1CCN(CC1)C(=O)C(C)O.CC(C)N1CCN(CC1)C(=O)C(C(C)(F)F)O.CC(C)N1CCN(CC1)C(=O)C(C)(C)O.CC(C)N1CCN(C2(C1)CC2)C(=O)CC(C)(C)O
InChIInChI=1S/C14H26N2O2.2C14H28N2O2.C13H26N2O2.C12H24N2O2.C11H20F2N2O2.2C11H22N2O2.C10H20N2O2/c1-11(2)15-7-8-16(14(10-15)5-6-14)12(17)9-13(3,4)18;1-11(2)10-12(17)13(18)15-6-8-16(9-7-15)14(3,4)5;1-6-14(5,18)11-12(17)15-7-9-16(10-8-15)13(2,3)4;1-10(2)11(16)12(17)14-6-8-15(9-7-14)13(3,4)5;1-10(2)13-5-7-14(8-6-13)11(15)9-12(3,4)16;1-8(2)14-4-6-15(7-5-14)10(17)9(16)11(3,12)13;1-9(2)12-5-7-13(8-6-12)10(14)11(3,4)15;1-9(2)12-4-6-13(7-5-12)11(15)8-10(3)14;1-8(2)11-4-6-12(7-5-11)10(14)9(3)13/h11,18H,5-10H2,1-4H3;11-12,17H,6-10H2,1-5H3;18H,6-11H2,1-5H3;10-11,16H,6-9H2,1-5H3;10,16H,5-9H2,1-4H3;8-9,16H,4-7H2,1-3H3;9,15H,5-8H2,1-4H3;9-10,14H,4-8H2,1-3H3;8-9,13H,4-7H2,1-3H3
InChIKeyQEZPVSXTQWVNJQ-UHFFFAOYSA-N
MW2117.00 g/mol
LogP—
Rot. Bonds27

About 1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 160398075) has the molecular formula C110H216F2N18O18 and a molecular weight of 2117.00 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID160398075
Molecular FormulaC110H216F2N18O18
Molecular Weight2117.00 g/mol
Exact Mass2116.65
IUPAC Name1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCCC(C)(CC(=O)N1CCN(CC1)C(C)(C)C)O.CC(C)CC(C(=O)N1CCN(CC1)C(C)(C)C)O.CC(C)C(C(=O)N1CCN(CC1)C(C)(C)C)O.CC(C)N1CCN(CC1)C(=O)CC(C)O.CC(C)N1CCN(CC1)C(=O)CC(C)(C)O.CC(C)N1CCN(CC1)C(=O)C(C)O.CC(C)N1CCN(CC1)C(=O)C(C(C)(F)F)O.CC(C)N1CCN(CC1)C(=O)C(C)(C)O.CC(C)N1CCN(C2(C1)CC2)C(=O)CC(C)(C)O
InChIInChI=1S/C14H26N2O2.2C14H28N2O2.C13H26N2O2.C12H24N2O2.C11H20F2N2O2.2C11H22N2O2.C10H20N2O2/c1-11(2)15-7-8-16(14(10-15)5-6-14)12(17)9-13(3,4)18;1-11(2)10-12(17)13(18)15-6-8-16(9-7-15)14(3,4)5;1-6-14(5,18)11-12(17)15-7-9-16(10-8-15)13(2,3)4;1-10(2)11(16)12(17)14-6-8-15(9-7-14)13(3,4)5;1-10(2)13-5-7-14(8-6-13)11(15)9-12(3,4)16;1-8(2)14-4-6-15(7-5-14)10(17)9(16)11(3,12)13;1-9(2)12-5-7-13(8-6-12)10(14)11(3,4)15;1-9(2)12-4-6-13(7-5-12)11(15)8-10(3)14;1-8(2)11-4-6-12(7-5-11)10(14)9(3)13/h11,18H,5-10H2,1-4H3;11-12,17H,6-10H2,1-5H3;18H,6-11H2,1-5H3;10-11,16H,6-9H2,1-5H3;10,16H,5-9H2,1-4H3;8-9,16H,4-7H2,1-3H3;9,15H,5-8H2,1-4H3;9-10,14H,4-8H2,1-3H3;8-9,13H,4-7H2,1-3H3
InChIKeyQEZPVSXTQWVNJQ-UHFFFAOYSA-N
XLogP—
TPSA394.00 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms148
Complexity2320

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 160398075) is 1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CCC(C)(CC(=O)N1CCN(CC1)C(C)(C)C)O.CC(C)CC(C(=O)N1CCN(CC1)C(C)(C)C)O.CC(C)C(C(=O)N1CCN(CC1)C(C)(C)C)O.CC(C)N1CCN(CC1)C(=O)CC(C)O.CC(C)N1CCN(CC1)C(=O)CC(C)(C)O.CC(C)N1CCN(CC1)C(=O)C(C)O.CC(C)N1CCN(CC1)C(=O)C(C(C)(F)F)O.CC(C)N1CCN(CC1)C(=O)C(C)(C)O.CC(C)N1CCN(C2(C1)CC2)C(=O)CC(C)(C)O.
What is the InChIKey of 1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is QEZPVSXTQWVNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.2C14H28N2O2.C13H26N2O2.C12H24N2O2.C11H20F2N2O2.2C11H22N2O2.C10H20N2O2/c1-11(2)15-7-8-16(14(10-15)5-6-14)12(17)9-13(3,4)18;1-11(2)10-12(17)13(18)15-6-8-16(9-7-15)14(3,4)5;1-6-14(5,18)11-12(17)15-7-9-16(10-8-15)13(2,3)4;1-10(2)11(16)12(17)14-6-8-15(9-7-14)13(3,4)5;1-10(2)13-5-7-14(8-6-13)11(15)9-12(3,4)16;1-8(2)14-4-6-15(7-5-14)10(17)9(16)11(3,12)13;1-9(2)12-5-7-13(8-6-12)10(14)11(3,4)15;1-9(2)12-4-6-13(7-5-12)11(15)8-10(3)14;1-8(2)11-4-6-12(7-5-11)10(14)9(3)13/h11,18H,5-10H2,1-4H3;11-12,17H,6-10H2,1-5H3;18H,6-11H2,1-5H3;10-11,16H,6-9H2,1-5H3;10,16H,5-9H2,1-4H3;8-9,16H,4-7H2,1-3H3;9,15H,5-8H2,1-4H3;9-10,14H,4-8H2,1-3H3;8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 2117.00 g/mol, XLogP of not available, 27 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-Tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-4-methylpentan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-hydroxy-3-methylpentan-1-one;3,3-difluoro-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-hydroxy-3-methyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;3-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 160398075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).