1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C113H222F2N18O18 — CID 159143072

IUPAC1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)(O)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)(O)CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)C(O)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)CC(O)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C(=O)C(O)C(C)(F)F)CC1.CC(C)N1CCN(C(=O)CC(C)(C)O)C2(CC2)C1.CC(O)C(=O)N1CCN(C(C)C)CC1.CC(O)CC(=O)N1CCN(C(C)(C)C)CC1.CCC(C)(O)CC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2.2C14H28N2O2.2C13H26N2O2.2C12H24N2O2.C11H20F2N2O2.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;1-12(2,3)15-8-6-14(7-9-15)11(16)10-13(4,5)17;1-10(2)11(16)12(17)14-6-8-15(9-7-14)13(3,4)5;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4,5)16;1-10(15)9-11(16)13-5-7-14(8-6-13)12(2,3)4;1-8(2)14-4-6-15(7-5-14)10(17)9(16)11(3,12)13;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;17H,6-10H2,1-5H3;10-11,16H,6-9H2,1-5H3;16H,6-9H2,1-5H3;10,15H,5-9H2,1-4H3;8-9,16H,4-7H2,1-3H3;8-9,13H,4-7H2,1-3H3
InChIKeyKIIHPHSPYYXTDL-UHFFFAOYSA-N
MW2159.12 g/mol
LogP7.96
Rot. Bonds21

About 1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 159143072) has the molecular formula C113H222F2N18O18 and a molecular weight of 2159.12 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID159143072
Molecular FormulaC113H222F2N18O18
Molecular Weight2159.12 g/mol
Exact Mass2157.70
IUPAC Name1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)(O)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)(O)CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)C(O)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)CC(O)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C(=O)C(O)C(C)(F)F)CC1.CC(C)N1CCN(C(=O)CC(C)(C)O)C2(CC2)C1.CC(O)C(=O)N1CCN(C(C)C)CC1.CC(O)CC(=O)N1CCN(C(C)(C)C)CC1.CCC(C)(O)CC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2.2C14H28N2O2.2C13H26N2O2.2C12H24N2O2.C11H20F2N2O2.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;1-12(2,3)15-8-6-14(7-9-15)11(16)10-13(4,5)17;1-10(2)11(16)12(17)14-6-8-15(9-7-14)13(3,4)5;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4,5)16;1-10(15)9-11(16)13-5-7-14(8-6-13)12(2,3)4;1-8(2)14-4-6-15(7-5-14)10(17)9(16)11(3,12)13;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;17H,6-10H2,1-5H3;10-11,16H,6-9H2,1-5H3;16H,6-9H2,1-5H3;10,15H,5-9H2,1-4H3;8-9,16H,4-7H2,1-3H3;8-9,13H,4-7H2,1-3H3
InChIKeyKIIHPHSPYYXTDL-UHFFFAOYSA-N
XLogP7.96
TPSA394.02 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002159.12
LogP ≤ 57.96
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;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)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 159143072) is 1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)(O)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)(O)CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)C(O)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)CC(O)C(=O)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(C(=O)C(O)C(C)(F)F)CC1.CC(C)N1CCN(C(=O)CC(C)(C)O)C2(CC2)C1.CC(O)C(=O)N1CCN(C(C)C)CC1.CC(O)CC(=O)N1CCN(C(C)(C)C)CC1.CCC(C)(O)CC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is KIIHPHSPYYXTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.2C14H28N2O2.2C13H26N2O2.2C12H24N2O2.C11H20F2N2O2.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;1-12(2,3)15-8-6-14(7-9-15)11(16)10-13(4,5)17;1-10(2)11(16)12(17)14-6-8-15(9-7-14)13(3,4)5;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4,5)16;1-10(15)9-11(16)13-5-7-14(8-6-13)12(2,3)4;1-8(2)14-4-6-15(7-5-14)10(17)9(16)11(3,12)13;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;17H,6-10H2,1-5H3;10-11,16H,6-9H2,1-5H3;16H,6-9H2,1-5H3;10,15H,5-9H2,1-4H3;8-9,16H,4-7H2,1-3H3;8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 2159.12 g/mol, XLogP of 7.96, 21 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-1-yl)-3-hydroxybutan-1-one;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-3-methylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-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;1-(4-tert-butylpiperazin-1-yl)-2-hydroxy-2-methylpropan-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;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 159143072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).