2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C11H22N2O2 — CID 59855855

IUPAC2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-5-7-13(8-6-12)10(14)11(3,4)15/h9,15H,5-8H2,1-4H3
InChIKeyMYEPNTIFYJFKBQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.31
Rot. Bonds2

About 2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 59855855) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID59855855
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-5-7-13(8-6-12)10(14)11(3,4)15/h9,15H,5-8H2,1-4H3
InChIKeyMYEPNTIFYJFKBQ-UHFFFAOYSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 103429771
(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
CID 28705148
2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
CID 134380044
[[2-methyl-1-oxo-1-(4-propan-2-ylpiperazin-1-yl)propan-2-yl]amino]methanesulfonate
CID 167383599
2,2,4-trimethyl-1-[4-(2,2,4-trimethyl-3-oxopentanoyl)piperazin-1-yl]pentane-1,3-dione
CID 3056457
methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 176724089
2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 146393528
N-tert-butyl-3-propan-2-ylimidazolidine-1-carboxamide
CID 146427463
ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 143433022
2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 134435805
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 59855855) is 2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)N1CCN(C(=O)C(C)(C)O)CC1.
What is the InChIKey of 2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is MYEPNTIFYJFKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)12-5-7-13(8-6-12)10(14)11(3,4)15/h9,15H,5-8H2,1-4H3.
What are the key properties of 2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 59855855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).