1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine

C13H19FN2O — CID 20785343

IUPAC1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine
SMILESCCOCc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-2-17-10-11-3-4-13(12(14)9-11)16-7-5-15-6-8-16/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyHHMLSUDODDYVAT-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.77
Rot. Bonds4

About 1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine

1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine (PubChem CID 20785343) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine.

Molecular Properties

Compound Name1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine
PubChem CID20785343
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine
SMILESCCOCc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-2-17-10-11-3-4-13(12(14)9-11)16-7-5-15-6-8-16/h3-4,9,15H,2,5-8,10H2,1H3
InChIKeyHHMLSUDODDYVAT-UHFFFAOYSA-N
XLogP1.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine?
The IUPAC name of 1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine (CID 20785343) is 1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine.
What is the SMILES notation for 1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine?
The canonical SMILES for 1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine is CCOCc1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine?
The InChIKey is HHMLSUDODDYVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-17-10-11-3-4-13(12(14)9-11)16-7-5-15-6-8-16/h3-4,9,15H,2,5-8,10H2,1H3.
What are the key properties of 1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine?
1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine has a molecular weight of 238.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethyl)-2-fluorophenyl]piperazine is sourced from PubChem (CID 20785343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).