2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine

C16H19FN4O2 — CID 22036512

IUPAC2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
SMILESFc1cccc(OCCOc2nccnc2N2CCNCC2)c1
InChIInChI=1S/C16H19FN4O2/c17-13-2-1-3-14(12-13)22-10-11-23-16-15(19-4-5-20-16)21-8-6-18-7-9-21/h1-5,12,18H,6-11H2
InChIKeyPPQCRSICKRTMLI-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.48
Rot. Bonds6

About 2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine

2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine (PubChem CID 22036512) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
PubChem CID22036512
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine
SMILESFc1cccc(OCCOc2nccnc2N2CCNCC2)c1
InChIInChI=1S/C16H19FN4O2/c17-13-2-1-3-14(12-13)22-10-11-23-16-15(19-4-5-20-16)21-8-6-18-7-9-21/h1-5,12,18H,6-11H2
InChIKeyPPQCRSICKRTMLI-UHFFFAOYSA-N
XLogP1.48
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
The IUPAC name of 2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine (CID 22036512) is 2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
The canonical SMILES for 2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine is Fc1cccc(OCCOc2nccnc2N2CCNCC2)c1.
What is the InChIKey of 2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
The InChIKey is PPQCRSICKRTMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-13-2-1-3-14(12-13)22-10-11-23-16-15(19-4-5-20-16)21-8-6-18-7-9-21/h1-5,12,18H,6-11H2.
What are the key properties of 2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine?
2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine has a molecular weight of 318.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenoxy)ethoxy]-3-piperazin-1-ylpyrazine is sourced from PubChem (CID 22036512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).