1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone

C17H25NO2 — CID 114425688

IUPAC1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
SMILESCCOc1ccc(C(=O)CC2CC(CC)CCN2)cc1
InChIInChI=1S/C17H25NO2/c1-3-13-9-10-18-15(11-13)12-17(19)14-5-7-16(8-6-14)20-4-2/h5-8,13,15,18H,3-4,9-12H2,1-2H3
InChIKeyAZGWUTPHSLFTHD-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone

1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone (PubChem CID 114425688) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
PubChem CID114425688
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
SMILESCCOc1ccc(C(=O)CC2CC(CC)CCN2)cc1
InChIInChI=1S/C17H25NO2/c1-3-13-9-10-18-15(11-13)12-17(19)14-5-7-16(8-6-14)20-4-2/h5-8,13,15,18H,3-4,9-12H2,1-2H3
InChIKeyAZGWUTPHSLFTHD-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone
CID 114425653
2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 114425650
1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425722
2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone
CID 114425730
3-[2-(4-ethylpiperidin-2-yl)acetyl]benzonitrile
CID 114425849
1-(4-ethoxyphenyl)-2-(oxolan-3-yl)ethanone
CID 103986239
2-(4-ethylpiperidin-2-yl)-1-(3-nitrophenyl)ethanone
CID 114425770
(4-ethoxyphenyl)-(3-ethylcyclopentyl)methanone
CID 65407752
methyl 3-(4-ethylpiperidin-2-yl)-2-oxopropanoate
CID 114425893
1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425879
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-propoxyphenyl)ethanone
CID 116595481
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119537733

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone (CID 114425688) is 1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone is CCOc1ccc(C(=O)CC2CC(CC)CCN2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
The InChIKey is AZGWUTPHSLFTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-13-9-10-18-15(11-13)12-17(19)14-5-7-16(8-6-14)20-4-2/h5-8,13,15,18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone is sourced from PubChem (CID 114425688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).