1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one

C15H21NO2 — CID 117013913

IUPAC1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one
SMILESCC(C)(C)c1ccccc1N1CC(O)CCC1=O
InChIInChI=1S/C15H21NO2/c1-15(2,3)12-6-4-5-7-13(12)16-10-11(17)8-9-14(16)18/h4-7,11,17H,8-10H2,1-3H3
InChIKeyLMHYPFAAWMNNTK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.47
Rot. Bonds1

About 1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one

1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one (PubChem CID 117013913) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one
PubChem CID117013913
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one
SMILESCC(C)(C)c1ccccc1N1CC(O)CCC1=O
InChIInChI=1S/C15H21NO2/c1-15(2,3)12-6-4-5-7-13(12)16-10-11(17)8-9-14(16)18/h4-7,11,17H,8-10H2,1-3H3
InChIKeyLMHYPFAAWMNNTK-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;1-(2-tert-butylphenyl)azetidin-2-one;2-methylpropan-2-olate
CID 69044513
1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol
CID 117020854
1-(2,5-dimethoxyphenyl)-5-hydroxypiperidin-2-one
CID 117013938
[1-(2-tert-butylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675118
5-hydroxy-1-(3-methylphenyl)piperidin-2-one
CID 117013897
(6R)-1-(2-tert-butylphenyl)-6-(hydroxymethyl)piperidin-2-one
CID 101074917
1-(2-tert-butylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113187102
1-(2-tert-butylphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187153
4-hydroxy-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168703559
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
methyl 4-(5-hydroxy-2-oxopiperidin-1-yl)benzoate
CID 117013948
1-(2-tert-butylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187147

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one?
The IUPAC name of 1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one (CID 117013913) is 1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one?
The canonical SMILES for 1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one is CC(C)(C)c1ccccc1N1CC(O)CCC1=O.
What is the InChIKey of 1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one?
The InChIKey is LMHYPFAAWMNNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)12-6-4-5-7-13(12)16-10-11(17)8-9-14(16)18/h4-7,11,17H,8-10H2,1-3H3.
What are the key properties of 1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one?
1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-5-hydroxypiperidin-2-one is sourced from PubChem (CID 117013913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).