2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine

C11H16BrN3O — CID 80674111

IUPAC2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine
SMILESCCOc1cncc(N2CCC(Br)CC2)n1
InChIInChI=1S/C11H16BrN3O/c1-2-16-11-8-13-7-10(14-11)15-5-3-9(12)4-6-15/h7-9H,2-6H2,1H3
InChIKeyQXQRWFRNUPFVMG-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.24
Rot. Bonds3

About 2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine

2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine (PubChem CID 80674111) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine.

Molecular Properties

Compound Name2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine
PubChem CID80674111
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine
SMILESCCOc1cncc(N2CCC(Br)CC2)n1
InChIInChI=1S/C11H16BrN3O/c1-2-16-11-8-13-7-10(14-11)15-5-3-9(12)4-6-15/h7-9H,2-6H2,1H3
InChIKeyQXQRWFRNUPFVMG-UHFFFAOYSA-N
XLogP2.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine?
The IUPAC name of 2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine (CID 80674111) is 2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine.
What is the SMILES notation for 2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine?
The canonical SMILES for 2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine is CCOc1cncc(N2CCC(Br)CC2)n1.
What is the InChIKey of 2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine?
The InChIKey is QXQRWFRNUPFVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-2-16-11-8-13-7-10(14-11)15-5-3-9(12)4-6-15/h7-9H,2-6H2,1H3.
What are the key properties of 2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine?
2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine has a molecular weight of 286.17 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine is sourced from PubChem (CID 80674111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).