1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one

C11H22N2O — CID 163271521

IUPAC1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCNC[C@H]1CC
InChIInChI=1S/C11H22N2O/c1-4-9(3)11(14)13-7-6-12-8-10(13)5-2/h9-10,12H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyOSFZJXUIMHEYLC-QVDQXJPCSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds3

About 1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one

1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one (PubChem CID 163271521) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one
PubChem CID163271521
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCNC[C@H]1CC
InChIInChI=1S/C11H22N2O/c1-4-9(3)11(14)13-7-6-12-8-10(13)5-2/h9-10,12H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyOSFZJXUIMHEYLC-QVDQXJPCSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one;molecular hydrogen
CID 163271520
2-ethylpiperazine-1-carbonyl chloride
CID 151342622
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120739628
2-ethyl-1,4-diazepane-1-carboxylic acid
CID 68851233
2-methyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79541210
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
2-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
CID 79549033
(2R)-2-ethyl-1-propan-2-ylpiperazine
CID 51627942
2-ethylpiperazine-1-carboximidamide
CID 159511522
2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 174972319
(2R)-2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 141432719

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one (CID 163271521) is 1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCNC[C@H]1CC.
What is the InChIKey of 1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one?
The InChIKey is OSFZJXUIMHEYLC-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-9(3)11(14)13-7-6-12-8-10(13)5-2/h9-10,12H,4-8H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of 1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one?
1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 163271521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).