1-(2-hydroxyethyl)piperazin-2-one;hydrochloride

C6H13ClN2O2 — CID 54595961

IUPAC1-(2-hydroxyethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1CCO
InChIInChI=1S/C6H12N2O2.ClH/c9-4-3-8-2-1-7-5-6(8)10;/h7,9H,1-5H2;1H
InChIKeyCAWOQWUQEQXUKC-UHFFFAOYSA-N
MW180.63 g/mol
LogP-1.17
Rot. Bonds2

About 1-(2-hydroxyethyl)piperazin-2-one;hydrochloride

1-(2-hydroxyethyl)piperazin-2-one;hydrochloride (PubChem CID 54595961) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-(2-hydroxyethyl)piperazin-2-one;hydrochloride
PubChem CID54595961
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name1-(2-hydroxyethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCCN1CCO
InChIInChI=1S/C6H12N2O2.ClH/c9-4-3-8-2-1-7-5-6(8)10;/h7,9H,1-5H2;1H
InChIKeyCAWOQWUQEQXUKC-UHFFFAOYSA-N
XLogP-1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4715305
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CID 18506884
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CID 122360251
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CID 13243866
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CID 129859924
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CID 337318
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 1-(2-hydroxyethyl)piperazin-2-one;hydrochloride (CID 54595961) is 1-(2-hydroxyethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-(2-hydroxyethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 1-(2-hydroxyethyl)piperazin-2-one;hydrochloride is Cl.O=C1CNCCN1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)piperazin-2-one;hydrochloride?
The InChIKey is CAWOQWUQEQXUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c9-4-3-8-2-1-7-5-6(8)10;/h7,9H,1-5H2;1H.
What are the key properties of 1-(2-hydroxyethyl)piperazin-2-one;hydrochloride?
1-(2-hydroxyethyl)piperazin-2-one;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 54595961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).