4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one

C13H18N2O2 — CID 117026747

IUPAC4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one
SMILESCCc1ccccc1N1CC(=O)NC(CO)C1
InChIInChI=1S/C13H18N2O2/c1-2-10-5-3-4-6-12(10)15-7-11(9-16)14-13(17)8-15/h3-6,11,16H,2,7-9H2,1H3,(H,14,17)
InChIKeyQEIBUBBXGUJYQL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.55
Rot. Bonds3

About 4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one

4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one (PubChem CID 117026747) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one
PubChem CID117026747
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one
SMILESCCc1ccccc1N1CC(=O)NC(CO)C1
InChIInChI=1S/C13H18N2O2/c1-2-10-5-3-4-6-12(10)15-7-11(9-16)14-13(17)8-15/h3-6,11,16H,2,7-9H2,1H3,(H,14,17)
InChIKeyQEIBUBBXGUJYQL-UHFFFAOYSA-N
XLogP0.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one?
The IUPAC name of 4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one (CID 117026747) is 4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one.
What is the SMILES notation for 4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one?
The canonical SMILES for 4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one is CCc1ccccc1N1CC(=O)NC(CO)C1.
What is the InChIKey of 4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one?
The InChIKey is QEIBUBBXGUJYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-10-5-3-4-6-12(10)15-7-11(9-16)14-13(17)8-15/h3-6,11,16H,2,7-9H2,1H3,(H,14,17).
What are the key properties of 4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one?
4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one is sourced from PubChem (CID 117026747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).