2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol

C13H21N3O2 — CID 75485017

IUPAC2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol
SMILESCC1CC(C)CN(c2cncc(OCCO)n2)C1
InChIInChI=1S/C13H21N3O2/c1-10-5-11(2)9-16(8-10)12-6-14-7-13(15-12)18-4-3-17/h6-7,10-11,17H,3-5,8-9H2,1-2H3
InChIKeyXHGROIGGSIWEES-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.33
Rot. Bonds4

About 2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol

2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol (PubChem CID 75485017) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol
PubChem CID75485017
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol
SMILESCC1CC(C)CN(c2cncc(OCCO)n2)C1
InChIInChI=1S/C13H21N3O2/c1-10-5-11(2)9-16(8-10)12-6-14-7-13(15-12)18-4-3-17/h6-7,10-11,17H,3-5,8-9H2,1-2H3
InChIKeyXHGROIGGSIWEES-UHFFFAOYSA-N
XLogP1.33
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol?
The IUPAC name of 2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol (CID 75485017) is 2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol.
What is the SMILES notation for 2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol?
The canonical SMILES for 2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol is CC1CC(C)CN(c2cncc(OCCO)n2)C1.
What is the InChIKey of 2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol?
The InChIKey is XHGROIGGSIWEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-5-11(2)9-16(8-10)12-6-14-7-13(15-12)18-4-3-17/h6-7,10-11,17H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol?
2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol has a molecular weight of 251.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]oxyethanol is sourced from PubChem (CID 75485017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).