2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine

C12H20N4 — CID 83065103

IUPAC2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine
SMILESCc1nccnc1N1CCCC(CCN)C1
InChIInChI=1S/C12H20N4/c1-10-12(15-7-6-14-10)16-8-2-3-11(9-16)4-5-13/h6-7,11H,2-5,8-9,13H2,1H3
InChIKeyYGPQNFOHOXBNSS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.35
Rot. Bonds3

About 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine

2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine (PubChem CID 83065103) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine
PubChem CID83065103
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine
SMILESCc1nccnc1N1CCCC(CCN)C1
InChIInChI=1S/C12H20N4/c1-10-12(15-7-6-14-10)16-8-2-3-11(9-16)4-5-13/h6-7,11H,2-5,8-9,13H2,1H3
InChIKeyYGPQNFOHOXBNSS-UHFFFAOYSA-N
XLogP1.35
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine (CID 83065103) is 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine is Cc1nccnc1N1CCCC(CCN)C1.
What is the InChIKey of 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine?
The InChIKey is YGPQNFOHOXBNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10-12(15-7-6-14-10)16-8-2-3-11(9-16)4-5-13/h6-7,11H,2-5,8-9,13H2,1H3.
What are the key properties of 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine?
2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 83065103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).