2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine

C14H22N2O2 — CID 86797240

IUPAC2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine
SMILESCOCCOC1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C14H22N2O2/c1-12-4-3-5-14(15-12)16-8-6-13(7-9-16)18-11-10-17-2/h3-5,13H,6-11H2,1-2H3
InChIKeyCTRFAOQCTKBOSU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.02
Rot. Bonds5

About 2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine

2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine (PubChem CID 86797240) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine
PubChem CID86797240
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine
SMILESCOCCOC1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C14H22N2O2/c1-12-4-3-5-14(15-12)16-8-6-13(7-9-16)18-11-10-17-2/h3-5,13H,6-11H2,1-2H3
InChIKeyCTRFAOQCTKBOSU-UHFFFAOYSA-N
XLogP2.02
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.02
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-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine?
The IUPAC name of 2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine (CID 86797240) is 2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine is COCCOC1CCN(c2cccc(C)n2)CC1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine?
The InChIKey is CTRFAOQCTKBOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12-4-3-5-14(15-12)16-8-6-13(7-9-16)18-11-10-17-2/h3-5,13H,6-11H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine?
2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine has a molecular weight of 250.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)piperidin-1-yl]-6-methylpyridine is sourced from PubChem (CID 86797240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).