2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one

C18H27FN2O2 — CID 110638341

IUPAC2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O2/c1-3-15(4-2)18(22)21-11-9-20(10-12-21)13-14-23-17-7-5-16(19)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyACOIXHMLDCFJIS-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.78
Rot. Bonds7

About 2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one

2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one (PubChem CID 110638341) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one
PubChem CID110638341
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O2/c1-3-15(4-2)18(22)21-11-9-20(10-12-21)13-14-23-17-7-5-16(19)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyACOIXHMLDCFJIS-UHFFFAOYSA-N
XLogP2.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 67299157
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869
[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 46964948
2-ethyl-1-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-yl]butan-1-one
CID 108536117
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-1-oxohexan-2-yl]-2-methylbenzonitrile
CID 22718376
3-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylbutan-1-one
CID 120502550
1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 59354971
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113104323

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one (CID 110638341) is 2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCN(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of 2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one?
The InChIKey is ACOIXHMLDCFJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-3-15(4-2)18(22)21-11-9-20(10-12-21)13-14-23-17-7-5-16(19)6-8-17/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of 2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one?
2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one has a molecular weight of 322.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110638341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).