2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine

C19H25N3O — CID 95819592

IUPAC2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine
SMILESCOCCN1CCC(c2cncc(-c3ccccc3C)n2)CC1
InChIInChI=1S/C19H25N3O/c1-15-5-3-4-6-17(15)19-14-20-13-18(21-19)16-7-9-22(10-8-16)11-12-23-2/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyQJVUGSQXDPPGSS-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.28
Rot. Bonds5

About 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine

2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine (PubChem CID 95819592) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine
PubChem CID95819592
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine
SMILESCOCCN1CCC(c2cncc(-c3ccccc3C)n2)CC1
InChIInChI=1S/C19H25N3O/c1-15-5-3-4-6-17(15)19-14-20-13-18(21-19)16-7-9-22(10-8-16)11-12-23-2/h3-6,13-14,16H,7-12H2,1-2H3
InChIKeyQJVUGSQXDPPGSS-UHFFFAOYSA-N
XLogP3.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine?
The IUPAC name of 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine (CID 95819592) is 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine.
What is the SMILES notation for 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine?
The canonical SMILES for 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine is COCCN1CCC(c2cncc(-c3ccccc3C)n2)CC1.
What is the InChIKey of 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine?
The InChIKey is QJVUGSQXDPPGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-5-3-4-6-17(15)19-14-20-13-18(21-19)16-7-9-22(10-8-16)11-12-23-2/h3-6,13-14,16H,7-12H2,1-2H3.
What are the key properties of 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine?
2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine has a molecular weight of 311.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-(2-methylphenyl)pyrazine is sourced from PubChem (CID 95819592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).