6-hydroxy-3-methylpiperidin-2-one

C6H11NO2 — CID 146587745

IUPAC6-hydroxy-3-methylpiperidin-2-one
SMILESCC1CCC(O)NC1=O
InChIInChI=1S/C6H11NO2/c1-4-2-3-5(8)7-6(4)9/h4-5,8H,2-3H2,1H3,(H,7,9)
InChIKeyOOKCWIVZOCIMKG-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.15
Rot. Bonds

About 6-hydroxy-3-methylpiperidin-2-one

6-hydroxy-3-methylpiperidin-2-one (PubChem CID 146587745) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 6-hydroxy-3-methylpiperidin-2-one.

Molecular Properties

Compound Name6-hydroxy-3-methylpiperidin-2-one
PubChem CID146587745
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name6-hydroxy-3-methylpiperidin-2-one
SMILESCC1CCC(O)NC1=O
InChIInChI=1S/C6H11NO2/c1-4-2-3-5(8)7-6(4)9/h4-5,8H,2-3H2,1H3,(H,7,9)
InChIKeyOOKCWIVZOCIMKG-UHFFFAOYSA-N
XLogP-0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methylpiperidin-2-one?
The IUPAC name of 6-hydroxy-3-methylpiperidin-2-one (CID 146587745) is 6-hydroxy-3-methylpiperidin-2-one.
What is the SMILES notation for 6-hydroxy-3-methylpiperidin-2-one?
The canonical SMILES for 6-hydroxy-3-methylpiperidin-2-one is CC1CCC(O)NC1=O.
What is the InChIKey of 6-hydroxy-3-methylpiperidin-2-one?
The InChIKey is OOKCWIVZOCIMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-2-3-5(8)7-6(4)9/h4-5,8H,2-3H2,1H3,(H,7,9).
What are the key properties of 6-hydroxy-3-methylpiperidin-2-one?
6-hydroxy-3-methylpiperidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methylpiperidin-2-one is sourced from PubChem (CID 146587745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).