1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

C20H24N2O2 — CID 965678

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-3-5-17(6-4-16)15-20(23)22-13-11-21(12-14-22)18-7-9-19(24-2)10-8-18/h3-10H,11-15H2,1-2H3
InChIKeyWJGJPSJELTYOLI-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.89
Rot. Bonds4

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (PubChem CID 965678) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
PubChem CID965678
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-16-3-5-17(6-4-16)15-20(23)22-13-11-21(12-14-22)18-7-9-19(24-2)10-8-18/h3-10H,11-15H2,1-2H3
InChIKeyWJGJPSJELTYOLI-UHFFFAOYSA-N
XLogP2.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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CID 65709
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone (CID 965678) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is COc1ccc(N2CCN(C(=O)Cc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
The InChIKey is WJGJPSJELTYOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-3-5-17(6-4-16)15-20(23)22-13-11-21(12-14-22)18-7-9-19(24-2)10-8-18/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 965678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).