1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone

C17H25NO2 — CID 112787708

IUPAC1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
SMILESCc1cc(C)c(OCC(=O)N2CCCCC2C)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-9-13(2)17(14(3)10-12)20-11-16(19)18-8-6-5-7-15(18)4/h9-10,15H,5-8,11H2,1-4H3
InChIKeyXLYXTXOOTHIKNH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone

1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone (PubChem CID 112787708) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
PubChem CID112787708
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
SMILESCc1cc(C)c(OCC(=O)N2CCCCC2C)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-9-13(2)17(14(3)10-12)20-11-16(19)18-8-6-5-7-15(18)4/h9-10,15H,5-8,11H2,1-4H3
InChIKeyXLYXTXOOTHIKNH-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone with MolForge

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Related Compounds

3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 134060467
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9472887
2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
2-(2-fluoro-6-methoxyphenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 99634908
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
CID 2505986
1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
CID 26818280
2-(2-chloro-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767331
2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767008
2-fluoro-4-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 107675285
4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 94813801

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone (CID 112787708) is 1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone is Cc1cc(C)c(OCC(=O)N2CCCCC2C)c(C)c1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone?
The InChIKey is XLYXTXOOTHIKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-9-13(2)17(14(3)10-12)20-11-16(19)18-8-6-5-7-15(18)4/h9-10,15H,5-8,11H2,1-4H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone?
1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone is sourced from PubChem (CID 112787708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).