5-hydroxy-4,4-dimethylpiperidin-2-one

C7H13NO2 — CID 136574844

IUPAC5-hydroxy-4,4-dimethylpiperidin-2-one
SMILESCC1(C)CC(=O)NCC1O
InChIInChI=1S/C7H13NO2/c1-7(2)3-6(10)8-4-5(7)9/h5,9H,3-4H2,1-2H3,(H,8,10)
InChIKeyRKQWNIKXFZTBBB-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.11
Rot. Bonds

About 5-hydroxy-4,4-dimethylpiperidin-2-one

5-hydroxy-4,4-dimethylpiperidin-2-one (PubChem CID 136574844) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-hydroxy-4,4-dimethylpiperidin-2-one.

Molecular Properties

Compound Name5-hydroxy-4,4-dimethylpiperidin-2-one
PubChem CID136574844
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-hydroxy-4,4-dimethylpiperidin-2-one
SMILESCC1(C)CC(=O)NCC1O
InChIInChI=1S/C7H13NO2/c1-7(2)3-6(10)8-4-5(7)9/h5,9H,3-4H2,1-2H3,(H,8,10)
InChIKeyRKQWNIKXFZTBBB-UHFFFAOYSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,4-dimethylpiperidin-2-one?
The IUPAC name of 5-hydroxy-4,4-dimethylpiperidin-2-one (CID 136574844) is 5-hydroxy-4,4-dimethylpiperidin-2-one.
What is the SMILES notation for 5-hydroxy-4,4-dimethylpiperidin-2-one?
The canonical SMILES for 5-hydroxy-4,4-dimethylpiperidin-2-one is CC1(C)CC(=O)NCC1O.
What is the InChIKey of 5-hydroxy-4,4-dimethylpiperidin-2-one?
The InChIKey is RKQWNIKXFZTBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)3-6(10)8-4-5(7)9/h5,9H,3-4H2,1-2H3,(H,8,10).
What are the key properties of 5-hydroxy-4,4-dimethylpiperidin-2-one?
5-hydroxy-4,4-dimethylpiperidin-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,4-dimethylpiperidin-2-one is sourced from PubChem (CID 136574844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).