1-[2-(3-methylphenoxy)ethyl]piperazin-2-one

C13H18N2O2 — CID 64564764

IUPAC1-[2-(3-methylphenoxy)ethyl]piperazin-2-one
SMILESCc1cccc(OCCN2CCNCC2=O)c1
InChIInChI=1S/C13H18N2O2/c1-11-3-2-4-12(9-11)17-8-7-15-6-5-14-10-13(15)16/h2-4,9,14H,5-8,10H2,1H3
InChIKeyPKZRDOKLVGKYTE-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.81
Rot. Bonds4

About 1-[2-(3-methylphenoxy)ethyl]piperazin-2-one

1-[2-(3-methylphenoxy)ethyl]piperazin-2-one (PubChem CID 64564764) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)ethyl]piperazin-2-one
PubChem CID64564764
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[2-(3-methylphenoxy)ethyl]piperazin-2-one
SMILESCc1cccc(OCCN2CCNCC2=O)c1
InChIInChI=1S/C13H18N2O2/c1-11-3-2-4-12(9-11)17-8-7-15-6-5-14-10-13(15)16/h2-4,9,14H,5-8,10H2,1H3
InChIKeyPKZRDOKLVGKYTE-UHFFFAOYSA-N
XLogP0.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[2-(3-methylphenoxy)ethyl]-1,3,8-triazaspiro[4.5]decan-2-one
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1-[3-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]propyl]piperazin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)ethyl]piperazin-2-one?
The IUPAC name of 1-[2-(3-methylphenoxy)ethyl]piperazin-2-one (CID 64564764) is 1-[2-(3-methylphenoxy)ethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-(3-methylphenoxy)ethyl]piperazin-2-one?
The canonical SMILES for 1-[2-(3-methylphenoxy)ethyl]piperazin-2-one is Cc1cccc(OCCN2CCNCC2=O)c1.
What is the InChIKey of 1-[2-(3-methylphenoxy)ethyl]piperazin-2-one?
The InChIKey is PKZRDOKLVGKYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11-3-2-4-12(9-11)17-8-7-15-6-5-14-10-13(15)16/h2-4,9,14H,5-8,10H2,1H3.
What are the key properties of 1-[2-(3-methylphenoxy)ethyl]piperazin-2-one?
1-[2-(3-methylphenoxy)ethyl]piperazin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)ethyl]piperazin-2-one is sourced from PubChem (CID 64564764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).