2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine

C12H20N4O — CID 64980765

IUPAC2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine
SMILESCCOc1cncc(N2CC(C)NCC2C)n1
InChIInChI=1S/C12H20N4O/c1-4-17-12-7-13-6-11(15-12)16-8-9(2)14-5-10(16)3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyKHLLQEZOVWTMTD-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.06
Rot. Bonds3

About 2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine

2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine (PubChem CID 64980765) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine
PubChem CID64980765
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine
SMILESCCOc1cncc(N2CC(C)NCC2C)n1
InChIInChI=1S/C12H20N4O/c1-4-17-12-7-13-6-11(15-12)16-8-9(2)14-5-10(16)3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyKHLLQEZOVWTMTD-UHFFFAOYSA-N
XLogP1.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine (CID 64980765) is 2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine is CCOc1cncc(N2CC(C)NCC2C)n1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine?
The InChIKey is KHLLQEZOVWTMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-17-12-7-13-6-11(15-12)16-8-9(2)14-5-10(16)3/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine?
2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine has a molecular weight of 236.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-6-ethoxypyrazine is sourced from PubChem (CID 64980765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).