2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine

C15H24N2O — CID 129028091

IUPAC2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(OCC2CCN(C)CC2)nc1
InChIInChI=1S/C15H24N2O/c1-12(2)14-4-5-15(16-10-14)18-11-13-6-8-17(3)9-7-13/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyXCPFPBQCFDPPAL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.93
Rot. Bonds4

About 2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine

2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine (PubChem CID 129028091) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine
PubChem CID129028091
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine
SMILESCC(C)c1ccc(OCC2CCN(C)CC2)nc1
InChIInChI=1S/C15H24N2O/c1-12(2)14-4-5-15(16-10-14)18-11-13-6-8-17(3)9-7-13/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyXCPFPBQCFDPPAL-UHFFFAOYSA-N
XLogP2.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine (CID 129028091) is 2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine is CC(C)c1ccc(OCC2CCN(C)CC2)nc1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine?
The InChIKey is XCPFPBQCFDPPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)14-4-5-15(16-10-14)18-11-13-6-8-17(3)9-7-13/h4-5,10,12-13H,6-9,11H2,1-3H3.
What are the key properties of 2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine?
2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine has a molecular weight of 248.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)methoxy]-5-propan-2-ylpyridine is sourced from PubChem (CID 129028091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).