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

C12H19N3O — CID 83063332

IUPAC2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol
SMILESCc1nccnc1N1CCCC(CCO)C1
InChIInChI=1S/C12H19N3O/c1-10-12(14-6-5-13-10)15-7-2-3-11(9-15)4-8-16/h5-6,11,16H,2-4,7-9H2,1H3
InChIKeyGEHJEBZTHDGOMU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.38
Rot. Bonds3

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

2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol (PubChem CID 83063332) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol
PubChem CID83063332
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol
SMILESCc1nccnc1N1CCCC(CCO)C1
InChIInChI=1S/C12H19N3O/c1-10-12(14-6-5-13-10)15-7-2-3-11(9-15)4-8-16/h5-6,11,16H,2-4,7-9H2,1H3
InChIKeyGEHJEBZTHDGOMU-UHFFFAOYSA-N
XLogP1.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.38
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]ethanol?
The IUPAC name of 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol (CID 83063332) is 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol is Cc1nccnc1N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol?
The InChIKey is GEHJEBZTHDGOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-12(14-6-5-13-10)15-7-2-3-11(9-15)4-8-16/h5-6,11,16H,2-4,7-9H2,1H3.
What are the key properties of 2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol?
2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.38, 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]ethanol is sourced from PubChem (CID 83063332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).