1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine

C15H17FN2S — CID 11637663

IUPAC1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1cc(F)cc(-c2ccsc2)c1
InChIInChI=1S/C15H17FN2S/c1-11-9-17-3-4-18(11)15-7-13(6-14(16)8-15)12-2-5-19-10-12/h2,5-8,10-11,17H,3-4,9H2,1H3
InChIKeyVYYXQKHGVNWYPE-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.35
Rot. Bonds2

About 1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine

1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine (PubChem CID 11637663) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine
PubChem CID11637663
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1cc(F)cc(-c2ccsc2)c1
InChIInChI=1S/C15H17FN2S/c1-11-9-17-3-4-18(11)15-7-13(6-14(16)8-15)12-2-5-19-10-12/h2,5-8,10-11,17H,3-4,9H2,1H3
InChIKeyVYYXQKHGVNWYPE-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine?
The IUPAC name of 1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine (CID 11637663) is 1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine.
What is the SMILES notation for 1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine?
The canonical SMILES for 1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine is CC1CNCCN1c1cc(F)cc(-c2ccsc2)c1.
What is the InChIKey of 1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine?
The InChIKey is VYYXQKHGVNWYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-11-9-17-3-4-18(11)15-7-13(6-14(16)8-15)12-2-5-19-10-12/h2,5-8,10-11,17H,3-4,9H2,1H3.
What are the key properties of 1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine?
1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine has a molecular weight of 276.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-thiophen-3-ylphenyl)-2-methylpiperazine is sourced from PubChem (CID 11637663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).