2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol

C12H19N3O2 — CID 82691447

IUPAC2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(Cc2cnccn2)CC1
InChIInChI=1S/C12H19N3O2/c16-7-8-17-12-1-5-15(6-2-12)10-11-9-13-3-4-14-11/h3-4,9,12,16H,1-2,5-8,10H2
InChIKeySWTVRHLNELITDY-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.45
Rot. Bonds5

About 2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol

2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol (PubChem CID 82691447) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol
PubChem CID82691447
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(Cc2cnccn2)CC1
InChIInChI=1S/C12H19N3O2/c16-7-8-17-12-1-5-15(6-2-12)10-11-9-13-3-4-14-11/h3-4,9,12,16H,1-2,5-8,10H2
InChIKeySWTVRHLNELITDY-UHFFFAOYSA-N
XLogP0.45
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol (CID 82691447) is 2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol is OCCOC1CCN(Cc2cnccn2)CC1.
What is the InChIKey of 2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol?
The InChIKey is SWTVRHLNELITDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-7-8-17-12-1-5-15(6-2-12)10-11-9-13-3-4-14-11/h3-4,9,12,16H,1-2,5-8,10H2.
What are the key properties of 2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol?
2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol has a molecular weight of 237.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82691447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).