1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one

C13H16ClNO2 — CID 117014121

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
SMILESCc1cc(C)c(N2CCCC(O)C2=O)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-8-6-9(2)12(10(14)7-8)15-5-3-4-11(16)13(15)17/h6-7,11,16H,3-5H2,1-2H3
InChIKeyAKRFZLVFMQYNOM-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.44
Rot. Bonds1

About 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one

1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one (PubChem CID 117014121) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
PubChem CID117014121
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
SMILESCc1cc(C)c(N2CCCC(O)C2=O)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-8-6-9(2)12(10(14)7-8)15-5-3-4-11(16)13(15)17/h6-7,11,16H,3-5H2,1-2H3
InChIKeyAKRFZLVFMQYNOM-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-1,4-diazocan-2-one
CID 117016188
1-(2-chloro-4,6-dimethylphenyl)-2,2-dimethylpiperidin-3-ol
CID 117019068
1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one
CID 117014103
1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one
CID 117014191
1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113
2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol
CID 117026004
1-(2-chloro-4,6-dimethylphenyl)-N-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113187915
butyl-ethyl-methyl-[2-oxo-1-(2,4,6-trimethylphenyl)piperidin-3-yl]azanium
CID 155693323
1-(2-chloro-4,6-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187924
1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017956
3-amino-1-(2,6-dichloro-4-fluorophenyl)piperidin-2-one
CID 83081282
1-(2,6-dichloro-4-methylphenyl)pyrrolidine
CID 118374334

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one (CID 117014121) is 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one is Cc1cc(C)c(N2CCCC(O)C2=O)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one?
The InChIKey is AKRFZLVFMQYNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8-6-9(2)12(10(14)7-8)15-5-3-4-11(16)13(15)17/h6-7,11,16H,3-5H2,1-2H3.
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one?
1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one has a molecular weight of 253.73 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 117014121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).