3-(hydroxymethyl)-1-methylpiperidin-2-one

C7H13NO2 — CID 16719427

IUPAC3-(hydroxymethyl)-1-methylpiperidin-2-one
SMILESCN1CCCC(CO)C1=O
InChIInChI=1S/C7H13NO2/c1-8-4-2-3-6(5-9)7(8)10/h6,9H,2-5H2,1H3
InChIKeyYWINIVAYENZCJR-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.15
Rot. Bonds1

About 3-(hydroxymethyl)-1-methylpiperidin-2-one

3-(hydroxymethyl)-1-methylpiperidin-2-one (PubChem CID 16719427) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-methylpiperidin-2-one
PubChem CID16719427
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-(hydroxymethyl)-1-methylpiperidin-2-one
SMILESCN1CCCC(CO)C1=O
InChIInChI=1S/C7H13NO2/c1-8-4-2-3-6(5-9)7(8)10/h6,9H,2-5H2,1H3
InChIKeyYWINIVAYENZCJR-UHFFFAOYSA-N
XLogP-0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(hydroxymethyl)-1-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-methylpiperidin-2-one?
The IUPAC name of 3-(hydroxymethyl)-1-methylpiperidin-2-one (CID 16719427) is 3-(hydroxymethyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-1-methylpiperidin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-1-methylpiperidin-2-one is CN1CCCC(CO)C1=O.
What is the InChIKey of 3-(hydroxymethyl)-1-methylpiperidin-2-one?
The InChIKey is YWINIVAYENZCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-8-4-2-3-6(5-9)7(8)10/h6,9H,2-5H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-methylpiperidin-2-one?
3-(hydroxymethyl)-1-methylpiperidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 16719427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).