6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine

C14H22BrN5 — CID 87371050

IUPAC6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine
SMILESBrc1cnc(N2CCCCC2)c(NC2CCCNC2)n1
InChIInChI=1S/C14H22BrN5/c15-12-10-17-14(20-7-2-1-3-8-20)13(19-12)18-11-5-4-6-16-9-11/h10-11,16H,1-9H2,(H,18,19)
InChIKeyGEAYNPAUMAFNRT-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.39
Rot. Bonds3

About 6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine

6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine (PubChem CID 87371050) has the molecular formula C14H22BrN5 and a molecular weight of 340.27 g/mol. Its IUPAC name is 6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine
PubChem CID87371050
Molecular FormulaC14H22BrN5
Molecular Weight340.27 g/mol
Exact Mass339.11
IUPAC Name6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine
SMILESBrc1cnc(N2CCCCC2)c(NC2CCCNC2)n1
InChIInChI=1S/C14H22BrN5/c15-12-10-17-14(20-7-2-1-3-8-20)13(19-12)18-11-5-4-6-16-9-11/h10-11,16H,1-9H2,(H,18,19)
InChIKeyGEAYNPAUMAFNRT-UHFFFAOYSA-N
XLogP2.39
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine?
The IUPAC name of 6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine (CID 87371050) is 6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine.
What is the SMILES notation for 6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine?
The canonical SMILES for 6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine is Brc1cnc(N2CCCCC2)c(NC2CCCNC2)n1.
What is the InChIKey of 6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine?
The InChIKey is GEAYNPAUMAFNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5/c15-12-10-17-14(20-7-2-1-3-8-20)13(19-12)18-11-5-4-6-16-9-11/h10-11,16H,1-9H2,(H,18,19).
What are the key properties of 6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine?
6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine has a molecular weight of 340.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine is sourced from PubChem (CID 87371050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).