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

C15H22N2O2 — CID 39257144

IUPAC4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
SMILESCc1ccc(OCCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-13-4-6-14(7-5-13)19-12-2-3-15(18)17-10-8-16-9-11-17/h4-7,16H,2-3,8-12H2,1H3
InChIKeyRPLGXBWCVHJLJM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.59
Rot. Bonds5

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

4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one (PubChem CID 39257144) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
PubChem CID39257144
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
SMILESCc1ccc(OCCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-13-4-6-14(7-5-13)19-12-2-3-15(18)17-10-8-16-9-11-17/h4-7,16H,2-3,8-12H2,1H3
InChIKeyRPLGXBWCVHJLJM-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284266
2-ethyl-1-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-yl]butan-1-one
CID 108536117
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
3-methyl-1-[4-[4-(4-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 108544354
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 62372715
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83932566
3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826
2-methylpropyl 4-[4-(4-methylphenoxy)butanoyl]piperazine-1-carboxylate
CID 108569006
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108536250

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one (CID 39257144) is 4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one is Cc1ccc(OCCCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one?
The InChIKey is RPLGXBWCVHJLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-13-4-6-14(7-5-13)19-12-2-3-15(18)17-10-8-16-9-11-17/h4-7,16H,2-3,8-12H2,1H3.
What are the key properties of 4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one?
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 39257144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).