1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine

C13H19FN2O3S — CID 110638324

IUPAC1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C13H19FN2O3S/c1-20(17,18)16-8-6-15(7-9-16)10-11-19-13-5-3-2-4-12(13)14/h2-5H,6-11H2,1H3
InChIKeyRNQLMZKGHXVSRQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.78
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine

1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine (PubChem CID 110638324) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine
PubChem CID110638324
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(CCOc2ccccc2F)CC1
InChIInChI=1S/C13H19FN2O3S/c1-20(17,18)16-8-6-15(7-9-16)10-11-19-13-5-3-2-4-12(13)14/h2-5H,6-11H2,1H3
InChIKeyRNQLMZKGHXVSRQ-UHFFFAOYSA-N
XLogP0.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 110410208
1-(2,4-difluorophenyl)sulfonyl-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 8771334
1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110638323
1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 123651521
1-(4-fluoro-2-methylphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazine
CID 110410093
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 32577025
N-benzyl-2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 18138118
2-(2-fluorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 110714979
1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391115
2-[1-[2-(2-fluorophenoxy)ethyl]azetidin-3-yl]acetic acid
CID 64618532
2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638301
4-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]morpholine
CID 27267565

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine (CID 110638324) is 1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(CCOc2ccccc2F)CC1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine?
The InChIKey is RNQLMZKGHXVSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-20(17,18)16-8-6-15(7-9-16)10-11-19-13-5-3-2-4-12(13)14/h2-5H,6-11H2,1H3.
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine?
1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine has a molecular weight of 302.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 110638324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).