(4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate

C8H16N2O4 — CID 174640793

IUPAC(4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate
SMILESCCN1CCN(OC(C)=O)C(O)C1O
InChIInChI=1S/C8H16N2O4/c1-3-9-4-5-10(14-6(2)11)8(13)7(9)12/h7-8,12-13H,3-5H2,1-2H3
InChIKeyHUBQPLXAHRTLGR-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.26
Rot. Bonds2

About (4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate

(4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate (PubChem CID 174640793) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate.

Molecular Properties

Compound Name(4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate
PubChem CID174640793
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate
SMILESCCN1CCN(OC(C)=O)C(O)C1O
InChIInChI=1S/C8H16N2O4/c1-3-9-4-5-10(14-6(2)11)8(13)7(9)12/h7-8,12-13H,3-5H2,1-2H3
InChIKeyHUBQPLXAHRTLGR-UHFFFAOYSA-N
XLogP-1.26
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethylpiperidin-1-yl) acetate
CID 70168459
(2-methylimidazolidin-1-yl) acetate
CID 59912739
(2-chloropyrrolidin-1-yl) acetate
CID 66933195
4-(acetyloxymethyl)-1-ethylpyrrolidine-2-carboxylic acid
CID 141022460
bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone
CID 174257075
azepan-1-yl acetate
CID 67537261
1-ethyl-2-methylpyrrolidine;methanesulfonic acid
CID 175583828
(6-amino-3,4,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrimidin-1-yl) acetate
CID 91517669
ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine)
CID 173078160
[(2S)-2-(methylsulfonyloxymethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174811572
1-(1-ethylpiperazin-2-yl)ethanone
CID 173048643
2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 64590973

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate?
The IUPAC name of (4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate (CID 174640793) is (4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate.
What is the SMILES notation for (4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate?
The canonical SMILES for (4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate is CCN1CCN(OC(C)=O)C(O)C1O.
What is the InChIKey of (4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate?
The InChIKey is HUBQPLXAHRTLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-3-9-4-5-10(14-6(2)11)8(13)7(9)12/h7-8,12-13H,3-5H2,1-2H3.
What are the key properties of (4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate?
(4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate has a molecular weight of 204.23 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,3-dihydroxypiperazin-1-yl) acetate is sourced from PubChem (CID 174640793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).