1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one

C14H19NO2 — CID 117014103

IUPAC1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one
SMILESCCc1cccc(C)c1N1CCCC(O)C1=O
InChIInChI=1S/C14H19NO2/c1-3-11-7-4-6-10(2)13(11)15-9-5-8-12(16)14(15)17/h4,6-7,12,16H,3,5,8-9H2,1-2H3
InChIKeyDFVCQVLJGMQLIG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.05
Rot. Bonds2

About 1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one

1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one (PubChem CID 117014103) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one
PubChem CID117014103
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one
SMILESCCc1cccc(C)c1N1CCCC(O)C1=O
InChIInChI=1S/C14H19NO2/c1-3-11-7-4-6-10(2)13(11)15-9-5-8-12(16)14(15)17/h4,6-7,12,16H,3,5,8-9H2,1-2H3
InChIKeyDFVCQVLJGMQLIG-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one
CID 117014191
1-(2-ethyl-6-methylphenyl)-3-methyl-1,4-diazocan-2-one
CID 117016262
1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
4-(2-ethyl-6-methylphenyl)-1,4-diazocan-5-one
CID 117015355
1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
CID 117014121
3-bromo-1-(2,6-diethylphenyl)pyrrolidin-2-one
CID 63789094
4-(azepane-1-carbonyl)-1-(2-ethyl-6-methylphenyl)pyrrolidin-2-one
CID 113186430
1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine
CID 59110945
1-(2,6-dimethylphenyl)-3-(1-ethylpyrrolidin-1-ium-1-yl)piperidin-2-one;yttrium
CID 158665564
3-(2-ethyl-6-methylphenyl)-2-oxo-1,3-oxazinane-6-carbonitrile
CID 117010472
1-(2-ethyl-6-methylphenyl)piperidin-4-one
CID 117028332
1-(2,6-diethylphenyl)piperidin-4-ol
CID 117028325

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one (CID 117014103) is 1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one is CCc1cccc(C)c1N1CCCC(O)C1=O.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one?
The InChIKey is DFVCQVLJGMQLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-11-7-4-6-10(2)13(11)15-9-5-8-12(16)14(15)17/h4,6-7,12,16H,3,5,8-9H2,1-2H3.
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one?
1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 117014103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).