2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine

C18H22FN3O2 — CID 156551560

IUPAC2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine
SMILESCCOc1cc(F)ccc1OC1CCCN(c2cncc(C)n2)C1
InChIInChI=1S/C18H22FN3O2/c1-3-23-17-9-14(19)6-7-16(17)24-15-5-4-8-22(12-15)18-11-20-10-13(2)21-18/h6-7,9-11,15H,3-5,8,12H2,1-2H3
InChIKeyCSZQXOCDVVJSPU-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.37
Rot. Bonds5

About 2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine

2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine (PubChem CID 156551560) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine
PubChem CID156551560
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine
SMILESCCOc1cc(F)ccc1OC1CCCN(c2cncc(C)n2)C1
InChIInChI=1S/C18H22FN3O2/c1-3-23-17-9-14(19)6-7-16(17)24-15-5-4-8-22(12-15)18-11-20-10-13(2)21-18/h6-7,9-11,15H,3-5,8,12H2,1-2H3
InChIKeyCSZQXOCDVVJSPU-UHFFFAOYSA-N
XLogP3.37
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine?
The IUPAC name of 2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine (CID 156551560) is 2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine.
What is the SMILES notation for 2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine?
The canonical SMILES for 2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine is CCOc1cc(F)ccc1OC1CCCN(c2cncc(C)n2)C1.
What is the InChIKey of 2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine?
The InChIKey is CSZQXOCDVVJSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-3-23-17-9-14(19)6-7-16(17)24-15-5-4-8-22(12-15)18-11-20-10-13(2)21-18/h6-7,9-11,15H,3-5,8,12H2,1-2H3.
What are the key properties of 2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine?
2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine has a molecular weight of 331.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxy-4-fluorophenoxy)piperidin-1-yl]-6-methylpyrazine is sourced from PubChem (CID 156551560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).