2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine

C15H16Cl2N4O — CID 22482026

IUPAC2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine
SMILESClc1cc(Cl)cc(COc2cncc(N3CCNCC3)n2)c1
InChIInChI=1S/C15H16Cl2N4O/c16-12-5-11(6-13(17)7-12)10-22-15-9-19-8-14(20-15)21-3-1-18-2-4-21/h5-9,18H,1-4,10H2
InChIKeyGBFQXJFIYTXKAD-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.77
Rot. Bonds4

About 2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine

2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine (PubChem CID 22482026) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine
PubChem CID22482026
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine
SMILESClc1cc(Cl)cc(COc2cncc(N3CCNCC3)n2)c1
InChIInChI=1S/C15H16Cl2N4O/c16-12-5-11(6-13(17)7-12)10-22-15-9-19-8-14(20-15)21-3-1-18-2-4-21/h5-9,18H,1-4,10H2
InChIKeyGBFQXJFIYTXKAD-UHFFFAOYSA-N
XLogP2.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine?
The IUPAC name of 2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine (CID 22482026) is 2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine is Clc1cc(Cl)cc(COc2cncc(N3CCNCC3)n2)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine?
The InChIKey is GBFQXJFIYTXKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c16-12-5-11(6-13(17)7-12)10-22-15-9-19-8-14(20-15)21-3-1-18-2-4-21/h5-9,18H,1-4,10H2.
What are the key properties of 2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine?
2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine has a molecular weight of 339.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine is sourced from PubChem (CID 22482026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).