2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol

C13H21N3O — CID 65418853

IUPAC2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol
SMILESCc1cnc(C)c(N2CCCC(CCO)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-14-11(2)13(15-10)16-6-3-4-12(9-16)5-7-17/h8,12,17H,3-7,9H2,1-2H3
InChIKeyVIBGGZFZUYSUSG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds3

About 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol

2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol (PubChem CID 65418853) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol
PubChem CID65418853
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol
SMILESCc1cnc(C)c(N2CCCC(CCO)C2)n1
InChIInChI=1S/C13H21N3O/c1-10-8-14-11(2)13(15-10)16-6-3-4-12(9-16)5-7-17/h8,12,17H,3-7,9H2,1-2H3
InChIKeyVIBGGZFZUYSUSG-UHFFFAOYSA-N
XLogP1.69
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol (CID 65418853) is 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol is Cc1cnc(C)c(N2CCCC(CCO)C2)n1.
What is the InChIKey of 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol?
The InChIKey is VIBGGZFZUYSUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-8-14-11(2)13(15-10)16-6-3-4-12(9-16)5-7-17/h8,12,17H,3-7,9H2,1-2H3.
What are the key properties of 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol?
2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 65418853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).