2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine

C16H19FN4O — CID 22481994

IUPAC2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine
SMILESFc1cccc(COCc2cncc(N3CCNCC3)n2)c1
InChIInChI=1S/C16H19FN4O/c17-14-3-1-2-13(8-14)11-22-12-15-9-19-10-16(20-15)21-6-4-18-5-7-21/h1-3,8-10,18H,4-7,11-12H2
InChIKeyMUIONNUERKLAJP-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.74
Rot. Bonds5

About 2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine

2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine (PubChem CID 22481994) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine
PubChem CID22481994
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine
SMILESFc1cccc(COCc2cncc(N3CCNCC3)n2)c1
InChIInChI=1S/C16H19FN4O/c17-14-3-1-2-13(8-14)11-22-12-15-9-19-10-16(20-15)21-6-4-18-5-7-21/h1-3,8-10,18H,4-7,11-12H2
InChIKeyMUIONNUERKLAJP-UHFFFAOYSA-N
XLogP1.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine?
The IUPAC name of 2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine (CID 22481994) is 2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine?
The canonical SMILES for 2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine is Fc1cccc(COCc2cncc(N3CCNCC3)n2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine?
The InChIKey is MUIONNUERKLAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-14-3-1-2-13(8-14)11-22-12-15-9-19-10-16(20-15)21-6-4-18-5-7-21/h1-3,8-10,18H,4-7,11-12H2.
What are the key properties of 2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine?
2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine has a molecular weight of 302.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methoxymethyl]-6-piperazin-1-ylpyrazine is sourced from PubChem (CID 22481994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).