4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one

C13H18N2O2 — CID 117340746

IUPAC4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(CCO)cc2)CC1=O
InChIInChI=1S/C13H18N2O2/c1-14-7-8-15(10-13(14)17)12-4-2-11(3-5-12)6-9-16/h2-5,16H,6-10H2,1H3
InChIKeyAMOOIHADSFMCOX-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.50
Rot. Bonds3

About 4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one

4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one (PubChem CID 117340746) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one
PubChem CID117340746
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one
SMILESCN1CCN(c2ccc(CCO)cc2)CC1=O
InChIInChI=1S/C13H18N2O2/c1-14-7-8-15(10-13(14)17)12-4-2-11(3-5-12)6-9-16/h2-5,16H,6-10H2,1H3
InChIKeyAMOOIHADSFMCOX-UHFFFAOYSA-N
XLogP0.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]propanal
CID 117368103
1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one
CID 117371591
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117373479
4-[4-[(dimethylamino)methyl]phenyl]-1-methylpiperazin-2-one
CID 171624506
4-[4-(aminooxymethyl)phenyl]-1-methylpiperazin-2-one
CID 117342549
1-[4-(2-hydroxyethyl)phenyl]-4-methylpiperazine-2,3-dione
CID 117373475
4-(4-methyl-3-oxopiperazin-1-yl)benzonitrile
CID 64681400
4-[4-[(1S)-1-aminoethyl]phenyl]-1-methylpiperazin-2-one
CID 78997047
4-[4-(1-aminoethyl)phenyl]-1-methylpiperazin-2-one
CID 64693857
N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide
CID 130280941
4-[4-(hydroxymethyl)phenyl]-1-methylpiperazine-2,6-dione
CID 84697496
3-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]butanal
CID 117405171

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one (CID 117340746) is 4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one is CN1CCN(c2ccc(CCO)cc2)CC1=O.
What is the InChIKey of 4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one?
The InChIKey is AMOOIHADSFMCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-7-8-15(10-13(14)17)12-4-2-11(3-5-12)6-9-16/h2-5,16H,6-10H2,1H3.
What are the key properties of 4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one?
4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)phenyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 117340746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).