2-(4-hydroxyphenyl)-1-methylpiperidin-3-one

C12H15NO2 — CID 105457351

IUPAC2-(4-hydroxyphenyl)-1-methylpiperidin-3-one
SMILESCN1CCCC(=O)C1c1ccc(O)cc1
InChIInChI=1S/C12H15NO2/c1-13-8-2-3-11(15)12(13)9-4-6-10(14)7-5-9/h4-7,12,14H,2-3,8H2,1H3
InChIKeyJHVTZCIASDRLHJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.73
Rot. Bonds1

About 2-(4-hydroxyphenyl)-1-methylpiperidin-3-one

2-(4-hydroxyphenyl)-1-methylpiperidin-3-one (PubChem CID 105457351) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-methylpiperidin-3-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-methylpiperidin-3-one
PubChem CID105457351
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(4-hydroxyphenyl)-1-methylpiperidin-3-one
SMILESCN1CCCC(=O)C1c1ccc(O)cc1
InChIInChI=1S/C12H15NO2/c1-13-8-2-3-11(15)12(13)9-4-6-10(14)7-5-9/h4-7,12,14H,2-3,8H2,1H3
InChIKeyJHVTZCIASDRLHJ-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one
CID 105472763
2-(4-fluorophenyl)-1-methylpyrrolidin-3-one
CID 83830352
2-(4-hydroxyphenyl)cyclopentane-1,3-dione
CID 163536929
2-(4-hydroxyphenyl)cyclohexan-1-one
CID 14548752
5-(4-hydroxyphenyl)-1-methylimidazolidine-2,4-dione
CID 82112832
5-(4-hydroxyphenyl)-1-methyl-2,3,4,5-tetrahydrofuro[3,4-b]pyridin-7-one
CID 10243594
1-ethyl-5-(4-hydroxyphenyl)pyrrolidine-2,4-dione
CID 105473651
9-(4-hydroxyphenyl)-10-methyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 704550
6-(4-hydroxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105492659
2-(4-hydroxyphenyl)-1-methylimidazolidin-4-one
CID 174408760
4-[(2R)-1,2-dimethylpyrrolidin-3-yl]phenol
CID 143139742
5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione
CID 151816538

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-methylpiperidin-3-one?
The IUPAC name of 2-(4-hydroxyphenyl)-1-methylpiperidin-3-one (CID 105457351) is 2-(4-hydroxyphenyl)-1-methylpiperidin-3-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-methylpiperidin-3-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-methylpiperidin-3-one is CN1CCCC(=O)C1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-methylpiperidin-3-one?
The InChIKey is JHVTZCIASDRLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-8-2-3-11(15)12(13)9-4-6-10(14)7-5-9/h4-7,12,14H,2-3,8H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-1-methylpiperidin-3-one?
2-(4-hydroxyphenyl)-1-methylpiperidin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-methylpiperidin-3-one is sourced from PubChem (CID 105457351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).