4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one

C13H20N2O2 — CID 118741519

IUPAC4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCC(CO)CC2)cc1=O
InChIInChI=1S/C13H20N2O2/c1-14-5-2-12(8-13(14)17)9-15-6-3-11(10-16)4-7-15/h2,5,8,11,16H,3-4,6-7,9-10H2,1H3
InChIKeyNNJKDEAYTRBANN-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.59
Rot. Bonds3

About 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one

4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 118741519) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID118741519
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CN2CCC(CO)CC2)cc1=O
InChIInChI=1S/C13H20N2O2/c1-14-5-2-12(8-13(14)17)9-15-6-3-11(10-16)4-7-15/h2,5,8,11,16H,3-4,6-7,9-10H2,1H3
InChIKeyNNJKDEAYTRBANN-UHFFFAOYSA-N
XLogP0.59
TPSA45.47 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one (CID 118741519) is 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one is Cn1ccc(CN2CCC(CO)CC2)cc1=O.
What is the InChIKey of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is NNJKDEAYTRBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-14-5-2-12(8-13(14)17)9-15-6-3-11(10-16)4-7-15/h2,5,8,11,16H,3-4,6-7,9-10H2,1H3.
What are the key properties of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 118741519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).