6-(hydroxymethyl)piperazin-2-one;hydrochloride

C5H11ClN2O2 — CID 122360251

IUPAC6-(hydroxymethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCC(CO)N1
InChIInChI=1S/C5H10N2O2.ClH/c8-3-4-1-6-2-5(9)7-4;/h4,6,8H,1-3H2,(H,7,9);1H
InChIKeyUXDMEZAJEXSQSV-UHFFFAOYSA-N
MW166.61 g/mol
LogP-1.51
Rot. Bonds1

About 6-(hydroxymethyl)piperazin-2-one;hydrochloride

6-(hydroxymethyl)piperazin-2-one;hydrochloride (PubChem CID 122360251) has the molecular formula C5H11ClN2O2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 6-(hydroxymethyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name6-(hydroxymethyl)piperazin-2-one;hydrochloride
PubChem CID122360251
Molecular FormulaC5H11ClN2O2
Molecular Weight166.61 g/mol
Exact Mass166.05
IUPAC Name6-(hydroxymethyl)piperazin-2-one;hydrochloride
SMILESCl.O=C1CNCC(CO)N1
InChIInChI=1S/C5H10N2O2.ClH/c8-3-4-1-6-2-5(9)7-4;/h4,6,8H,1-3H2,(H,7,9);1H
InChIKeyUXDMEZAJEXSQSV-UHFFFAOYSA-N
XLogP-1.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)piperazin-2-one;hydrochloride?
The IUPAC name of 6-(hydroxymethyl)piperazin-2-one;hydrochloride (CID 122360251) is 6-(hydroxymethyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 6-(hydroxymethyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 6-(hydroxymethyl)piperazin-2-one;hydrochloride is Cl.O=C1CNCC(CO)N1.
What is the InChIKey of 6-(hydroxymethyl)piperazin-2-one;hydrochloride?
The InChIKey is UXDMEZAJEXSQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2.ClH/c8-3-4-1-6-2-5(9)7-4;/h4,6,8H,1-3H2,(H,7,9);1H.
What are the key properties of 6-(hydroxymethyl)piperazin-2-one;hydrochloride?
6-(hydroxymethyl)piperazin-2-one;hydrochloride has a molecular weight of 166.61 g/mol, XLogP of -1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 122360251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).