2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine

C14H23N3O — CID 118739925

IUPAC2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine
SMILESCCOCCN1CCC(c2cncc(C)n2)CC1
InChIInChI=1S/C14H23N3O/c1-3-18-9-8-17-6-4-13(5-7-17)14-11-15-10-12(2)16-14/h10-11,13H,3-9H2,1-2H3
InChIKeyUKXVVAFBLVUMMR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.00
Rot. Bonds5

About 2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine

2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine (PubChem CID 118739925) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine
PubChem CID118739925
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine
SMILESCCOCCN1CCC(c2cncc(C)n2)CC1
InChIInChI=1S/C14H23N3O/c1-3-18-9-8-17-6-4-13(5-7-17)14-11-15-10-12(2)16-14/h10-11,13H,3-9H2,1-2H3
InChIKeyUKXVVAFBLVUMMR-UHFFFAOYSA-N
XLogP2.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine?
The IUPAC name of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine (CID 118739925) is 2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine.
What is the SMILES notation for 2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine?
The canonical SMILES for 2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine is CCOCCN1CCC(c2cncc(C)n2)CC1.
What is the InChIKey of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine?
The InChIKey is UKXVVAFBLVUMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-18-9-8-17-6-4-13(5-7-17)14-11-15-10-12(2)16-14/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine?
2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine has a molecular weight of 249.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyethyl)piperidin-4-yl]-6-methylpyrazine is sourced from PubChem (CID 118739925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).