5-hydroxy-1-(3-methylphenyl)piperidin-2-one

C12H15NO2 — CID 117013897

IUPAC5-hydroxy-1-(3-methylphenyl)piperidin-2-one
SMILESCc1cccc(N2CC(O)CCC2=O)c1
InChIInChI=1S/C12H15NO2/c1-9-3-2-4-10(7-9)13-8-11(14)5-6-12(13)15/h2-4,7,11,14H,5-6,8H2,1H3
InChIKeyASYWMZZWQPQHKS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.48
Rot. Bonds1

About 5-hydroxy-1-(3-methylphenyl)piperidin-2-one

5-hydroxy-1-(3-methylphenyl)piperidin-2-one (PubChem CID 117013897) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-hydroxy-1-(3-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(3-methylphenyl)piperidin-2-one
PubChem CID117013897
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-hydroxy-1-(3-methylphenyl)piperidin-2-one
SMILESCc1cccc(N2CC(O)CCC2=O)c1
InChIInChI=1S/C12H15NO2/c1-9-3-2-4-10(7-9)13-8-11(14)5-6-12(13)15/h2-4,7,11,14H,5-6,8H2,1H3
InChIKeyASYWMZZWQPQHKS-UHFFFAOYSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-5-hydroxypiperidin-2-one
CID 117013916
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
4-(bromomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 168504686
methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate
CID 117013948
(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892198
5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 82506704
1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one
CID 117013913
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17120609
(3S)-N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017598
3-methyl-1-(3-methylphenyl)piperidin-2-one
CID 21249686

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(3-methylphenyl)piperidin-2-one?
The IUPAC name of 5-hydroxy-1-(3-methylphenyl)piperidin-2-one (CID 117013897) is 5-hydroxy-1-(3-methylphenyl)piperidin-2-one.
What is the SMILES notation for 5-hydroxy-1-(3-methylphenyl)piperidin-2-one?
The canonical SMILES for 5-hydroxy-1-(3-methylphenyl)piperidin-2-one is Cc1cccc(N2CC(O)CCC2=O)c1.
What is the InChIKey of 5-hydroxy-1-(3-methylphenyl)piperidin-2-one?
The InChIKey is ASYWMZZWQPQHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-3-2-4-10(7-9)13-8-11(14)5-6-12(13)15/h2-4,7,11,14H,5-6,8H2,1H3.
What are the key properties of 5-hydroxy-1-(3-methylphenyl)piperidin-2-one?
5-hydroxy-1-(3-methylphenyl)piperidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(3-methylphenyl)piperidin-2-one is sourced from PubChem (CID 117013897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).