2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one

C11H22N2O — CID 82756442

IUPAC2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCNC[C@H]1C
InChIInChI=1S/C11H22N2O/c1-4-10(5-2)11(14)13-7-6-12-8-9(13)3/h9-10,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyAWQKLHICEUXAQG-SECBINFHSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds3

About 2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one

2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one (PubChem CID 82756442) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
PubChem CID82756442
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCNC[C@H]1C
InChIInChI=1S/C11H22N2O/c1-4-10(5-2)11(14)13-7-6-12-8-9(13)3/h9-10,12H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyAWQKLHICEUXAQG-SECBINFHSA-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

2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 50999951
(2R)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one;hydrochloride
CID 130757949
2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128920292
(2S)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 128923025
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 82246038
1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
2-(2,5-dimethylpyrrolidin-1-yl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672063
2-butylsulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471231
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one (CID 82756442) is 2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCNC[C@H]1C.
What is the InChIKey of 2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one?
The InChIKey is AWQKLHICEUXAQG-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-10(5-2)11(14)13-7-6-12-8-9(13)3/h9-10,12H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one?
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-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 2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one is sourced from PubChem (CID 82756442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).