2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol

C13H20N2O2 — CID 82976559

IUPAC2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
SMILESCOC1CCN(Cc2nc(C)ccc2O)CC1
InChIInChI=1S/C13H20N2O2/c1-10-3-4-13(16)12(14-10)9-15-7-5-11(17-2)6-8-15/h3-4,11,16H,5-9H2,1-2H3
InChIKeyBTUXCLFVYPADLK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.71
Rot. Bonds3

About 2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol

2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol (PubChem CID 82976559) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
PubChem CID82976559
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
SMILESCOC1CCN(Cc2nc(C)ccc2O)CC1
InChIInChI=1S/C13H20N2O2/c1-10-3-4-13(16)12(14-10)9-15-7-5-11(17-2)6-8-15/h3-4,11,16H,5-9H2,1-2H3
InChIKeyBTUXCLFVYPADLK-UHFFFAOYSA-N
XLogP1.71
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol (CID 82976559) is 2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol is COC1CCN(Cc2nc(C)ccc2O)CC1.
What is the InChIKey of 2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol?
The InChIKey is BTUXCLFVYPADLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-3-4-13(16)12(14-10)9-15-7-5-11(17-2)6-8-15/h3-4,11,16H,5-9H2,1-2H3.
What are the key properties of 2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol?
2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol has a molecular weight of 236.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 82976559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).