6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one

C13H20N2O2 — CID 57005938

IUPAC6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCN1CCC(CO)(Cc2cccc(=O)[nH]2)CC1
InChIInChI=1S/C13H20N2O2/c1-15-7-5-13(10-16,6-8-15)9-11-3-2-4-12(17)14-11/h2-4,16H,5-10H2,1H3,(H,14,17)
InChIKeyVEQFQCKXQXVBCN-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.62
Rot. Bonds3

About 6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one

6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 57005938) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID57005938
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCN1CCC(CO)(Cc2cccc(=O)[nH]2)CC1
InChIInChI=1S/C13H20N2O2/c1-15-7-5-13(10-16,6-8-15)9-11-3-2-4-12(17)14-11/h2-4,16H,5-10H2,1H3,(H,14,17)
InChIKeyVEQFQCKXQXVBCN-UHFFFAOYSA-N
XLogP0.62
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one (CID 57005938) is 6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one is CN1CCC(CO)(Cc2cccc(=O)[nH]2)CC1.
What is the InChIKey of 6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is VEQFQCKXQXVBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-7-5-13(10-16,6-8-15)9-11-3-2-4-12(17)14-11/h2-4,16H,5-10H2,1H3,(H,14,17).
What are the key properties of 6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one?
6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 236.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(hydroxymethyl)-1-methylpiperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 57005938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).