2-bromo-3-piperidin-1-ylpyrazine

C9H12BrN3 — CID 130118607

IUPAC2-bromo-3-piperidin-1-ylpyrazine
SMILESBrc1nccnc1N1CCCCC1
InChIInChI=1S/C9H12BrN3/c10-8-9(12-5-4-11-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2
InChIKeyKFPCAZKNKKQKAX-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.23
Rot. Bonds1

About 2-bromo-3-piperidin-1-ylpyrazine

2-bromo-3-piperidin-1-ylpyrazine (PubChem CID 130118607) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-bromo-3-piperidin-1-ylpyrazine.

Molecular Properties

Compound Name2-bromo-3-piperidin-1-ylpyrazine
PubChem CID130118607
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name2-bromo-3-piperidin-1-ylpyrazine
SMILESBrc1nccnc1N1CCCCC1
InChIInChI=1S/C9H12BrN3/c10-8-9(12-5-4-11-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2
InChIKeyKFPCAZKNKKQKAX-UHFFFAOYSA-N
XLogP2.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-piperidin-1-ylpyrazine?
The IUPAC name of 2-bromo-3-piperidin-1-ylpyrazine (CID 130118607) is 2-bromo-3-piperidin-1-ylpyrazine.
What is the SMILES notation for 2-bromo-3-piperidin-1-ylpyrazine?
The canonical SMILES for 2-bromo-3-piperidin-1-ylpyrazine is Brc1nccnc1N1CCCCC1.
What is the InChIKey of 2-bromo-3-piperidin-1-ylpyrazine?
The InChIKey is KFPCAZKNKKQKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c10-8-9(12-5-4-11-8)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2.
What are the key properties of 2-bromo-3-piperidin-1-ylpyrazine?
2-bromo-3-piperidin-1-ylpyrazine has a molecular weight of 242.12 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-piperidin-1-ylpyrazine is sourced from PubChem (CID 130118607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).