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

C21H27N3O — CID 95819982

IUPAC2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine
SMILESCc1ccccc1-c1cncc(C2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C21H27N3O/c1-16-4-2-3-5-19(16)21-15-22-14-20(23-21)17-6-10-24(11-7-17)18-8-12-25-13-9-18/h2-5,14-15,17-18H,6-13H2,1H3
InChIKeyJQHIGNJWERYFAU-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.81
Rot. Bonds3

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

2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine (PubChem CID 95819982) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine.

Molecular Properties

Compound Name2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine
PubChem CID95819982
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine
SMILESCc1ccccc1-c1cncc(C2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C21H27N3O/c1-16-4-2-3-5-19(16)21-15-22-14-20(23-21)17-6-10-24(11-7-17)18-8-12-25-13-9-18/h2-5,14-15,17-18H,6-13H2,1H3
InChIKeyJQHIGNJWERYFAU-UHFFFAOYSA-N
XLogP3.81
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine?
The IUPAC name of 2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine (CID 95819982) is 2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine.
What is the SMILES notation for 2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine?
The canonical SMILES for 2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine is Cc1ccccc1-c1cncc(C2CCN(C3CCOCC3)CC2)n1.
What is the InChIKey of 2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine?
The InChIKey is JQHIGNJWERYFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-4-2-3-5-19(16)21-15-22-14-20(23-21)17-6-10-24(11-7-17)18-8-12-25-13-9-18/h2-5,14-15,17-18H,6-13H2,1H3.
What are the key properties of 2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine?
2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine has a molecular weight of 337.47 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-6-[1-(oxan-4-yl)piperidin-4-yl]pyrazine is sourced from PubChem (CID 95819982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).