5-hydroxy-1-methylpiperidin-2-one

C6H11NO2 — CID 58763646

IUPAC5-hydroxy-1-methylpiperidin-2-one
SMILESCN1CC(O)CCC1=O
InChIInChI=1S/C6H11NO2/c1-7-4-5(8)2-3-6(7)9/h5,8H,2-4H2,1H3
InChIKeyUCSPSEUVPQTOQD-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.40
Rot. Bonds

About 5-hydroxy-1-methylpiperidin-2-one

5-hydroxy-1-methylpiperidin-2-one (PubChem CID 58763646) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 5-hydroxy-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-methylpiperidin-2-one
PubChem CID58763646
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name5-hydroxy-1-methylpiperidin-2-one
SMILESCN1CC(O)CCC1=O
InChIInChI=1S/C6H11NO2/c1-7-4-5(8)2-3-6(7)9/h5,8H,2-4H2,1H3
InChIKeyUCSPSEUVPQTOQD-UHFFFAOYSA-N
XLogP-0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methylpiperidin-2-one?
The IUPAC name of 5-hydroxy-1-methylpiperidin-2-one (CID 58763646) is 5-hydroxy-1-methylpiperidin-2-one.
What is the SMILES notation for 5-hydroxy-1-methylpiperidin-2-one?
The canonical SMILES for 5-hydroxy-1-methylpiperidin-2-one is CN1CC(O)CCC1=O.
What is the InChIKey of 5-hydroxy-1-methylpiperidin-2-one?
The InChIKey is UCSPSEUVPQTOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7-4-5(8)2-3-6(7)9/h5,8H,2-4H2,1H3.
What are the key properties of 5-hydroxy-1-methylpiperidin-2-one?
5-hydroxy-1-methylpiperidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methylpiperidin-2-one is sourced from PubChem (CID 58763646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).