3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine

C13H19FN2 — CID 64925990

IUPAC3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine
SMILESCCC1CN(c2ccc(C)c(F)c2)CCN1
InChIInChI=1S/C13H19FN2/c1-3-11-9-16(7-6-15-11)12-5-4-10(2)13(14)8-12/h4-5,8,11,15H,3,6-7,9H2,1-2H3
InChIKeyNTWOAOQCWWWALF-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.32
Rot. Bonds2

About 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine

3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine (PubChem CID 64925990) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine.

Molecular Properties

Compound Name3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine
PubChem CID64925990
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine
SMILESCCC1CN(c2ccc(C)c(F)c2)CCN1
InChIInChI=1S/C13H19FN2/c1-3-11-9-16(7-6-15-11)12-5-4-10(2)13(14)8-12/h4-5,8,11,15H,3,6-7,9H2,1-2H3
InChIKeyNTWOAOQCWWWALF-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine?
The IUPAC name of 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine (CID 64925990) is 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine.
What is the SMILES notation for 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine?
The canonical SMILES for 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine is CCC1CN(c2ccc(C)c(F)c2)CCN1.
What is the InChIKey of 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine?
The InChIKey is NTWOAOQCWWWALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-11-9-16(7-6-15-11)12-5-4-10(2)13(14)8-12/h4-5,8,11,15H,3,6-7,9H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine?
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine has a molecular weight of 222.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine is sourced from PubChem (CID 64925990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).