6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one

C13H17NO2 — CID 101376441

IUPAC6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(c2ccc(O)cc2)N1
InChIInChI=1S/C13H17NO2/c1-13(2)8-11(16)7-12(14-13)9-3-5-10(15)6-4-9/h3-6,12,14-15H,7-8H2,1-2H3
InChIKeyWKGOEUXZGVENOO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.16
Rot. Bonds1

About 6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one

6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one (PubChem CID 101376441) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one
PubChem CID101376441
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(c2ccc(O)cc2)N1
InChIInChI=1S/C13H17NO2/c1-13(2)8-11(16)7-12(14-13)9-3-5-10(15)6-4-9/h3-6,12,14-15H,7-8H2,1-2H3
InChIKeyWKGOEUXZGVENOO-UHFFFAOYSA-N
XLogP2.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one?
The IUPAC name of 6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one (CID 101376441) is 6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one.
What is the SMILES notation for 6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one?
The canonical SMILES for 6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one is CC1(C)CC(=O)CC(c2ccc(O)cc2)N1.
What is the InChIKey of 6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one?
The InChIKey is WKGOEUXZGVENOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2)8-11(16)7-12(14-13)9-3-5-10(15)6-4-9/h3-6,12,14-15H,7-8H2,1-2H3.
What are the key properties of 6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one?
6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one has a molecular weight of 219.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-2,2-dimethylpiperidin-4-one is sourced from PubChem (CID 101376441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).