1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium

C12H19FN2O+2 — CID 7263169

IUPAC1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium
SMILESFc1ccc(OCC[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2/p+2
InChIKeyIHVXZESETSWDAC-UHFFFAOYSA-P
MW226.30 g/mol
LogP-1.33
Rot. Bonds4

About 1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium

1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium (PubChem CID 7263169) has the molecular formula C12H19FN2O+2 and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium
PubChem CID7263169
Molecular FormulaC12H19FN2O+2
Molecular Weight226.30 g/mol
Exact Mass226.15
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium
SMILESFc1ccc(OCC[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2/p+2
InChIKeyIHVXZESETSWDAC-UHFFFAOYSA-P
XLogP-1.33
TPSA30.28 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-iodophenoxy)ethyl]piperazine-1,4-diium
CID 7244694
1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium
CID 7446273
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperazine-1,4-diium
CID 7443365
1-[5-(4-fluorophenoxy)pentyl]pyrrolidin-1-ium
CID 2248273
1-[6-(4-fluorophenoxy)hexyl]piperidin-1-ium
CID 2250689
1-[2-(3-methoxyphenoxy)ethyl]piperazine-1,4-diium
CID 6939219
1-[2-(3-bromophenoxy)ethyl]piperazine-1,4-diium
CID 7244689
1-[4-(2-fluorophenoxy)butyl]piperazine-1,4-diium
CID 2194718
1-[2-(2-phenylphenoxy)ethyl]piperazine-1,4-diium
CID 7442998
1-[3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]piperazine-1,4-diium
CID 2194699
1-(4-fluorophenyl)sulfonyl-4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium
CID 8746986
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine-1,4-diium
CID 7479388

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium (CID 7263169) is 1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium is Fc1ccc(OCC[NH+]2CC[NH2+]CC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium?
The InChIKey is IHVXZESETSWDAC-UHFFFAOYSA-P. The full InChI is InChI=1S/C12H17FN2O/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2/p+2.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium?
1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium has a molecular weight of 226.30 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium is sourced from PubChem (CID 7263169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).