2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone

C18H25NO2 — CID 63764733

IUPAC2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN2C3CCC2CC(O)C3)c(C)c1
InChIInChI=1S/C18H25NO2/c1-11-6-12(2)18(13(3)7-11)17(21)10-19-14-4-5-15(19)9-16(20)8-14/h6-7,14-16,20H,4-5,8-10H2,1-3H3
InChIKeyFTOPHVGPNJLWRO-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.78
Rot. Bonds3

About 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 63764733) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID63764733
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN2C3CCC2CC(O)C3)c(C)c1
InChIInChI=1S/C18H25NO2/c1-11-6-12(2)18(13(3)7-11)17(21)10-19-14-4-5-15(19)9-16(20)8-14/h6-7,14-16,20H,4-5,8-10H2,1-3H3
InChIKeyFTOPHVGPNJLWRO-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-2,5-dione
CID 62024199
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115560594
8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763526
1-(2,4-difluorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63763175
3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 98019521
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-methylphenyl)propan-1-one
CID 63770677
1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63764057
1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7975596
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 64597172
2-(3,5-dimethylphenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63763604
(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
CID 116920159

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone (CID 63764733) is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN2C3CCC2CC(O)C3)c(C)c1.
What is the InChIKey of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is FTOPHVGPNJLWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-11-6-12(2)18(13(3)7-11)17(21)10-19-14-4-5-15(19)9-16(20)8-14/h6-7,14-16,20H,4-5,8-10H2,1-3H3.
What are the key properties of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone?
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 287.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 63764733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).