1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone

C16H23NO2 — CID 113388848

IUPAC1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone
SMILESCCC1CCN(c2cccc(OC)c2C(C)=O)CC1
InChIInChI=1S/C16H23NO2/c1-4-13-8-10-17(11-9-13)14-6-5-7-15(19-3)16(14)12(2)18/h5-7,13H,4,8-11H2,1-3H3
InChIKeyVCRMKAAXZFFDOD-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.52
Rot. Bonds4

About 1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone

1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone (PubChem CID 113388848) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone
PubChem CID113388848
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone
SMILESCCC1CCN(c2cccc(OC)c2C(C)=O)CC1
InChIInChI=1S/C16H23NO2/c1-4-13-8-10-17(11-9-13)14-6-5-7-15(19-3)16(14)12(2)18/h5-7,13H,4,8-11H2,1-3H3
InChIKeyVCRMKAAXZFFDOD-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[3-(hydroxymethyl)piperidin-1-yl]-6-methoxyphenyl]ethanone
CID 113388844
1-[2-(4-ethylpiperidin-1-yl)phenyl]ethanone
CID 61420820
1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone
CID 114410228
1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
CID 62076817
methyl 2-amino-3-(4-ethylazepan-1-yl)benzoate
CID 115546284
2-(4-ethylpiperidin-1-yl)benzaldehyde
CID 61421010
1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanone
CID 114490046
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
1-(2,3-difluorophenyl)-4-ethylpiperidine
CID 155298255
1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanone
CID 106202167
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
2-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]butanoic acid
CID 83981953

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone (CID 113388848) is 1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone is CCC1CCN(c2cccc(OC)c2C(C)=O)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone?
The InChIKey is VCRMKAAXZFFDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-13-8-10-17(11-9-13)14-6-5-7-15(19-3)16(14)12(2)18/h5-7,13H,4,8-11H2,1-3H3.
What are the key properties of 1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone?
1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperidin-1-yl)-6-methoxyphenyl]ethanone is sourced from PubChem (CID 113388848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).