1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine

C13H19FN2 — CID 155722191

IUPAC1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine
SMILESCCc1cc(N2CCNCC2)c(F)cc1C
InChIInChI=1S/C13H19FN2/c1-3-11-9-13(12(14)8-10(11)2)16-6-4-15-5-7-16/h8-9,15H,3-7H2,1-2H3
InChIKeyQDSWGIJKZLEFTO-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.11
Rot. Bonds2

About 1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine

1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine (PubChem CID 155722191) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine
PubChem CID155722191
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine
SMILESCCc1cc(N2CCNCC2)c(F)cc1C
InChIInChI=1S/C13H19FN2/c1-3-11-9-13(12(14)8-10(11)2)16-6-4-15-5-7-16/h8-9,15H,3-7H2,1-2H3
InChIKeyQDSWGIJKZLEFTO-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine?
The IUPAC name of 1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine (CID 155722191) is 1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine.
What is the SMILES notation for 1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine?
The canonical SMILES for 1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine is CCc1cc(N2CCNCC2)c(F)cc1C.
What is the InChIKey of 1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine?
The InChIKey is QDSWGIJKZLEFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-11-9-13(12(14)8-10(11)2)16-6-4-15-5-7-16/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine?
1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine has a molecular weight of 222.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine is sourced from PubChem (CID 155722191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).