5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine

C11H16BrN3 — CID 114477528

IUPAC5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine
SMILESCc1ncc(N2CCC(Br)CC2)nc1C
InChIInChI=1S/C11H16BrN3/c1-8-9(2)14-11(7-13-8)15-5-3-10(12)4-6-15/h7,10H,3-6H2,1-2H3
InChIKeyWXDHHQCNMZYZQT-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.46
Rot. Bonds1

About 5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine

5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine (PubChem CID 114477528) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine.

Molecular Properties

Compound Name5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine
PubChem CID114477528
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine
SMILESCc1ncc(N2CCC(Br)CC2)nc1C
InChIInChI=1S/C11H16BrN3/c1-8-9(2)14-11(7-13-8)15-5-3-10(12)4-6-15/h7,10H,3-6H2,1-2H3
InChIKeyWXDHHQCNMZYZQT-UHFFFAOYSA-N
XLogP2.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine?
The IUPAC name of 5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine (CID 114477528) is 5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine.
What is the SMILES notation for 5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine?
The canonical SMILES for 5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine is Cc1ncc(N2CCC(Br)CC2)nc1C.
What is the InChIKey of 5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine?
The InChIKey is WXDHHQCNMZYZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-9(2)14-11(7-13-8)15-5-3-10(12)4-6-15/h7,10H,3-6H2,1-2H3.
What are the key properties of 5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine?
5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine has a molecular weight of 270.17 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromopiperidin-1-yl)-2,3-dimethylpyrazine is sourced from PubChem (CID 114477528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).