2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone

C17H25NO2 — CID 62123584

IUPAC2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CN2CCCC(C)C2C)cc1
InChIInChI=1S/C17H25NO2/c1-4-20-16-9-7-15(8-10-16)17(19)12-18-11-5-6-13(2)14(18)3/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyQLUZZHRYTASIFU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.39
Rot. Bonds5

About 2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone

2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone (PubChem CID 62123584) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone
PubChem CID62123584
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(C(=O)CN2CCCC(C)C2C)cc1
InChIInChI=1S/C17H25NO2/c1-4-20-16-9-7-15(8-10-16)17(19)12-18-11-5-6-13(2)14(18)3/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyQLUZZHRYTASIFU-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55039891
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 62037784
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 82752898
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 104967905
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107228038
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-ethoxyphenyl)ethanone
CID 93026036
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798437
4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]aniline
CID 55040511
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123229
1-(4-ethoxyphenyl)-2-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 173395195

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone?
The IUPAC name of 2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone (CID 62123584) is 2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone is CCOc1ccc(C(=O)CN2CCCC(C)C2C)cc1.
What is the InChIKey of 2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone?
The InChIKey is QLUZZHRYTASIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-16-9-7-15(8-10-16)17(19)12-18-11-5-6-13(2)14(18)3/h7-10,13-14H,4-6,11-12H2,1-3H3.
What are the key properties of 2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone?
2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 62123584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).