4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one

C13H18N2O2 — CID 117340762

IUPAC4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
SMILESCC(CO)c1ccccc1N1CCNC(=O)C1
InChIInChI=1S/C13H18N2O2/c1-10(9-16)11-4-2-3-5-12(11)15-7-6-14-13(17)8-15/h2-5,10,16H,6-9H2,1H3,(H,14,17)
InChIKeyNZBNCBSTLFVHBS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds3

About 4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one

4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one (PubChem CID 117340762) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
PubChem CID117340762
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
SMILESCC(CO)c1ccccc1N1CCNC(=O)C1
InChIInChI=1S/C13H18N2O2/c1-10(9-16)11-4-2-3-5-12(11)15-7-6-14-13(17)8-15/h2-5,10,16H,6-9H2,1H3,(H,14,17)
InChIKeyNZBNCBSTLFVHBS-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-2-one
CID 65366231
2-methyl-3-[2-(3-oxopiperazin-1-yl)phenyl]propanoic acid
CID 117410307
4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
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4-(2-propanoylphenyl)piperazin-2-one
CID 112677272
4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
CID 43281159
4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperazin-2-one
CID 78939331
4-[2-(1-amino-2-hydroxyethyl)phenyl]piperazine-2,6-dione
CID 117375744
1-(2-butan-2-ylphenyl)imidazolidin-2-one
CID 115370483
4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperazin-2-one
CID 82971865
4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one
CID 114058608
1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one
CID 115995191
4-(2-amino-3-pyridinyl)piperazin-2-one
CID 104539681

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one?
The IUPAC name of 4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one (CID 117340762) is 4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one?
The canonical SMILES for 4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one is CC(CO)c1ccccc1N1CCNC(=O)C1.
What is the InChIKey of 4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one?
The InChIKey is NZBNCBSTLFVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(9-16)11-4-2-3-5-12(11)15-7-6-14-13(17)8-15/h2-5,10,16H,6-9H2,1H3,(H,14,17).
What are the key properties of 4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one?
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one is sourced from PubChem (CID 117340762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).