2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine

C17H20N4O — CID 22481971

IUPAC2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine
SMILESc1ccc2c(c1)CCC2Oc1cncc(N2CCNCC2)n1
InChIInChI=1S/C17H20N4O/c1-2-4-14-13(3-1)5-6-15(14)22-17-12-19-11-16(20-17)21-9-7-18-8-10-21/h1-4,11-12,15,18H,5-10H2
InChIKeyFIZMUXPLUOOTCU-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.95
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine

2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine (PubChem CID 22481971) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine
PubChem CID22481971
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine
SMILESc1ccc2c(c1)CCC2Oc1cncc(N2CCNCC2)n1
InChIInChI=1S/C17H20N4O/c1-2-4-14-13(3-1)5-6-15(14)22-17-12-19-11-16(20-17)21-9-7-18-8-10-21/h1-4,11-12,15,18H,5-10H2
InChIKeyFIZMUXPLUOOTCU-UHFFFAOYSA-N
XLogP1.95
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine (CID 22481971) is 2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine is c1ccc2c(c1)CCC2Oc1cncc(N2CCNCC2)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine?
The InChIKey is FIZMUXPLUOOTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-4-14-13(3-1)5-6-15(14)22-17-12-19-11-16(20-17)21-9-7-18-8-10-21/h1-4,11-12,15,18H,5-10H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine?
2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine has a molecular weight of 296.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yloxy)-6-piperazin-1-ylpyrazine is sourced from PubChem (CID 22481971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).