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

C12H24N2O2 — CID 134380044

IUPAC2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
SMILESCC(C)N1CCN(C(=O)C(C)(C)O)[C@H](C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)13-6-7-14(10(3)8-13)11(15)12(4,5)16/h9-10,16H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyTYPCSEXSOHZMRV-SNVBAGLBSA-N
MW228.34 g/mol
LogP0.70
Rot. Bonds2

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

2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one (PubChem CID 134380044) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
PubChem CID134380044
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
SMILESCC(C)N1CCN(C(=O)C(C)(C)O)[C@H](C)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)13-6-7-14(10(3)8-13)11(15)12(4,5)16/h9-10,16H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyTYPCSEXSOHZMRV-SNVBAGLBSA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 59855855
(2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine
CID 170195604
tert-butyl 4-[(2S)-2-methyl-4-propan-2-ylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 68817055
2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 103429254
[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 134379973
1-[(E)-6,6-dimethylhept-3-en-4-yl]-2-methyl-4-propan-2-ylpiperazine
CID 174071797
2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
CID 146393528
2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 103429510
2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 103430580
1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 23557236
tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
CID 168850650
1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 146395138

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one (CID 134380044) is 2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one is CC(C)N1CCN(C(=O)C(C)(C)O)[C@H](C)C1.
What is the InChIKey of 2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one?
The InChIKey is TYPCSEXSOHZMRV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)13-6-7-14(10(3)8-13)11(15)12(4,5)16/h9-10,16H,6-8H2,1-5H3/t10-/m1/s1.
What are the key properties of 2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one?
2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.70, 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-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 134380044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).