2-(2-hydroxyphenyl)piperidin-4-one

C11H13NO2 — CID 75982706

IUPAC2-(2-hydroxyphenyl)piperidin-4-one
SMILESO=C1CCNC(c2ccccc2O)C1
InChIInChI=1S/C11H13NO2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14/h1-4,10,12,14H,5-7H2
InChIKeyKIRUJPAGLLIWIT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.39
Rot. Bonds1

About 2-(2-hydroxyphenyl)piperidin-4-one

2-(2-hydroxyphenyl)piperidin-4-one (PubChem CID 75982706) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)piperidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)piperidin-4-one
PubChem CID75982706
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(2-hydroxyphenyl)piperidin-4-one
SMILESO=C1CCNC(c2ccccc2O)C1
InChIInChI=1S/C11H13NO2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14/h1-4,10,12,14H,5-7H2
InChIKeyKIRUJPAGLLIWIT-UHFFFAOYSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(trifluoromethyl)phenyl]piperidin-4-one
CID 75982795
(2R)-2-phenylpiperidin-4-one
CID 86319056
2-(azetidin-2-yl)phenol
CID 55282316
(6S)-6-(2-hydroxyphenyl)-2,2-dimethylpiperidin-4-one
CID 139197578
2-(1,1-dioxo-1,4-thiazinan-3-yl)phenol
CID 105484645
2-morpholin-3-ylphenol
CID 55294349
2-(4-methylpiperazin-2-yl)phenol
CID 83445266
2-(6-methyl-2-pyridinyl)piperidin-4-one
CID 82403926
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
2-ethyl-5-(2-hydroxyphenyl)pyrazolidin-3-one
CID 105458849
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
4-(2-hydroxyphenyl)azetidine-2-carbaldehyde
CID 174681874

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)piperidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)piperidin-4-one (CID 75982706) is 2-(2-hydroxyphenyl)piperidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)piperidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)piperidin-4-one is O=C1CCNC(c2ccccc2O)C1.
What is the InChIKey of 2-(2-hydroxyphenyl)piperidin-4-one?
The InChIKey is KIRUJPAGLLIWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14/h1-4,10,12,14H,5-7H2.
What are the key properties of 2-(2-hydroxyphenyl)piperidin-4-one?
2-(2-hydroxyphenyl)piperidin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)piperidin-4-one is sourced from PubChem (CID 75982706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).