2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one

C12H25N3O2 — CID 79810112

IUPAC2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H25N3O2/c1-3-12(13,4-2)11(17)15-7-5-14(6-8-15)9-10-16/h16H,3-10,13H2,1-2H3
InChIKeyGUJPJQGCMHNTDR-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.36
Rot. Bonds5

About 2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one

2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one (PubChem CID 79810112) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
PubChem CID79810112
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
SMILESCCC(N)(CC)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H25N3O2/c1-3-12(13,4-2)11(17)15-7-5-14(6-8-15)9-10-16/h16H,3-10,13H2,1-2H3
InChIKeyGUJPJQGCMHNTDR-UHFFFAOYSA-N
XLogP-0.36
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-amino-2-ethylbutanoyl)piperazin-1-yl]propanenitrile
CID 113291583
2-ethyl-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]butanimidamide
CID 76920521
2-amino-3,3,3-trifluoro-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 107218232
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-amino-2-ethyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 79810147
ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108522953
ethyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetate
CID 60894850
2-amino-2-ethyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 81103514
2,2,2-trichloroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate;hydrochloride
CID 70625672
2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 79810335
3-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 106111291
(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
CID 93339973

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one (CID 79810112) is 2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one is CCC(N)(CC)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
The InChIKey is GUJPJQGCMHNTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-12(13,4-2)11(17)15-7-5-14(6-8-15)9-10-16/h16H,3-10,13H2,1-2H3.
What are the key properties of 2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one has a molecular weight of 243.35 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 79810112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).