2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine

C17H22N4O3 — CID 18186895

IUPAC2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine
SMILESCOc1cccc(COc2cncc(N3CCNCC3)n2)c1OC
InChIInChI=1S/C17H22N4O3/c1-22-14-5-3-4-13(17(14)23-2)12-24-16-11-19-10-15(20-16)21-8-6-18-7-9-21/h3-5,10-11,18H,6-9,12H2,1-2H3
InChIKeyVSXCPAAIVRSIGV-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.48
Rot. Bonds6

About 2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine

2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine (PubChem CID 18186895) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine
PubChem CID18186895
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine
SMILESCOc1cccc(COc2cncc(N3CCNCC3)n2)c1OC
InChIInChI=1S/C17H22N4O3/c1-22-14-5-3-4-13(17(14)23-2)12-24-16-11-19-10-15(20-16)21-8-6-18-7-9-21/h3-5,10-11,18H,6-9,12H2,1-2H3
InChIKeyVSXCPAAIVRSIGV-UHFFFAOYSA-N
XLogP1.48
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine (CID 18186895) is 2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine is COc1cccc(COc2cncc(N3CCNCC3)n2)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine?
The InChIKey is VSXCPAAIVRSIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-22-14-5-3-4-13(17(14)23-2)12-24-16-11-19-10-15(20-16)21-8-6-18-7-9-21/h3-5,10-11,18H,6-9,12H2,1-2H3.
What are the key properties of 2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine?
2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine has a molecular weight of 330.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methoxy]-6-piperazin-1-ylpyrazine is sourced from PubChem (CID 18186895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).