1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol

C11H16ClN3O — CID 131985250

IUPAC1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cnc(Cl)cn2)CC1
InChIInChI=1S/C11H16ClN3O/c1-8(16)9-2-4-15(5-3-9)11-7-13-10(12)6-14-11/h6-9,16H,2-5H2,1H3
InChIKeyPBIVWAWXUQAMBB-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.73
Rot. Bonds2

About 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol

1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol (PubChem CID 131985250) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol
PubChem CID131985250
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cnc(Cl)cn2)CC1
InChIInChI=1S/C11H16ClN3O/c1-8(16)9-2-4-15(5-3-9)11-7-13-10(12)6-14-11/h6-9,16H,2-5H2,1H3
InChIKeyPBIVWAWXUQAMBB-UHFFFAOYSA-N
XLogP1.73
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol (CID 131985250) is 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol is CC(O)C1CCN(c2cnc(Cl)cn2)CC1.
What is the InChIKey of 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol?
The InChIKey is PBIVWAWXUQAMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(16)9-2-4-15(5-3-9)11-7-13-10(12)6-14-11/h6-9,16H,2-5H2,1H3.
What are the key properties of 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol?
1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol has a molecular weight of 241.72 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloropyrazin-2-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 131985250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).