3-(4-methylphenyl)piperazin-2-one

C11H14N2O — CID 10465130

IUPAC3-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(C2NCCNC2=O)cc1
InChIInChI=1S/C11H14N2O/c1-8-2-4-9(5-3-8)10-11(14)13-7-6-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeyRXFUIHADWKAZNF-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.76
Rot. Bonds1

About 3-(4-methylphenyl)piperazin-2-one

3-(4-methylphenyl)piperazin-2-one (PubChem CID 10465130) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)piperazin-2-one
PubChem CID10465130
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(C2NCCNC2=O)cc1
InChIInChI=1S/C11H14N2O/c1-8-2-4-9(5-3-8)10-11(14)13-7-6-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)
InChIKeyRXFUIHADWKAZNF-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 3-(4-methylphenyl)piperazin-2-one (CID 10465130) is 3-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 3-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 3-(4-methylphenyl)piperazin-2-one is Cc1ccc(C2NCCNC2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)piperazin-2-one?
The InChIKey is RXFUIHADWKAZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-2-4-9(5-3-8)10-11(14)13-7-6-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(4-methylphenyl)piperazin-2-one?
3-(4-methylphenyl)piperazin-2-one has a molecular weight of 190.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 10465130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).