2-methoxy-3-methyl-5-piperidin-4-ylpyridine

C12H18N2O — CID 135144983

IUPAC2-methoxy-3-methyl-5-piperidin-4-ylpyridine
SMILESCOc1ncc(C2CCNCC2)cc1C
InChIInChI=1S/C12H18N2O/c1-9-7-11(8-14-12(9)15-2)10-3-5-13-6-4-10/h7-8,10,13H,3-6H2,1-2H3
InChIKeyMCMSYXYLIRTCQU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.87
Rot. Bonds2

About 2-methoxy-3-methyl-5-piperidin-4-ylpyridine

2-methoxy-3-methyl-5-piperidin-4-ylpyridine (PubChem CID 135144983) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methoxy-3-methyl-5-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-methoxy-3-methyl-5-piperidin-4-ylpyridine
PubChem CID135144983
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methoxy-3-methyl-5-piperidin-4-ylpyridine
SMILESCOc1ncc(C2CCNCC2)cc1C
InChIInChI=1S/C12H18N2O/c1-9-7-11(8-14-12(9)15-2)10-3-5-13-6-4-10/h7-8,10,13H,3-6H2,1-2H3
InChIKeyMCMSYXYLIRTCQU-UHFFFAOYSA-N
XLogP1.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-5-piperidin-4-ylpyridine?
The IUPAC name of 2-methoxy-3-methyl-5-piperidin-4-ylpyridine (CID 135144983) is 2-methoxy-3-methyl-5-piperidin-4-ylpyridine.
What is the SMILES notation for 2-methoxy-3-methyl-5-piperidin-4-ylpyridine?
The canonical SMILES for 2-methoxy-3-methyl-5-piperidin-4-ylpyridine is COc1ncc(C2CCNCC2)cc1C.
What is the InChIKey of 2-methoxy-3-methyl-5-piperidin-4-ylpyridine?
The InChIKey is MCMSYXYLIRTCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-7-11(8-14-12(9)15-2)10-3-5-13-6-4-10/h7-8,10,13H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-3-methyl-5-piperidin-4-ylpyridine?
2-methoxy-3-methyl-5-piperidin-4-ylpyridine has a molecular weight of 206.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-5-piperidin-4-ylpyridine is sourced from PubChem (CID 135144983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).