1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine

C13H19FN2O — CID 20785279

IUPAC1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine
SMILESCOC(C)c1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C13H19FN2O/c1-10(17-2)11-3-4-12(14)13(9-11)16-7-5-15-6-8-16/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyXYVLKWDPUPGSPJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.94
Rot. Bonds3

About 1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine

1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine (PubChem CID 20785279) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine
PubChem CID20785279
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine
SMILESCOC(C)c1ccc(F)c(N2CCNCC2)c1
InChIInChI=1S/C13H19FN2O/c1-10(17-2)11-3-4-12(14)13(9-11)16-7-5-15-6-8-16/h3-4,9-10,15H,5-8H2,1-2H3
InChIKeyXYVLKWDPUPGSPJ-UHFFFAOYSA-N
XLogP1.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine (CID 20785279) is 1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine is COC(C)c1ccc(F)c(N2CCNCC2)c1.
What is the InChIKey of 1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine?
The InChIKey is XYVLKWDPUPGSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10(17-2)11-3-4-12(14)13(9-11)16-7-5-15-6-8-16/h3-4,9-10,15H,5-8H2,1-2H3.
What are the key properties of 1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine?
1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine has a molecular weight of 238.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(1-methoxyethyl)phenyl]piperazine is sourced from PubChem (CID 20785279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).