4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one

C16H24N2O2 — CID 39284266

IUPAC4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one
SMILESCCc1ccc(OCCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-14-5-7-15(8-6-14)20-13-3-4-16(19)18-11-9-17-10-12-18/h5-8,17H,2-4,9-13H2,1H3
InChIKeyCRJTUZSUXOJANY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds6

About 4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one

4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one (PubChem CID 39284266) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one
PubChem CID39284266
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one
SMILESCCc1ccc(OCCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-2-14-5-7-15(8-6-14)20-13-3-4-16(19)18-11-9-17-10-12-18/h5-8,17H,2-4,9-13H2,1H3
InChIKeyCRJTUZSUXOJANY-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566
1-piperazin-1-yl-3-(4-propanoylphenoxy)propan-1-one
CID 82147379
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
CID 19191324
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-ethylphenoxy)butan-1-one
CID 108762297
4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779310
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
4-(2-ethyl-4-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83941549
4-(2-methylphenoxy)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403750
3-[(6-methyl-3-pyridinyl)oxy]-1-piperazin-1-ylpropan-1-one
CID 114608443

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one (CID 39284266) is 4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one is CCc1ccc(OCCCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one?
The InChIKey is CRJTUZSUXOJANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-14-5-7-15(8-6-14)20-13-3-4-16(19)18-11-9-17-10-12-18/h5-8,17H,2-4,9-13H2,1H3.
What are the key properties of 4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one?
4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 39284266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).