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

C16H23NO2 — CID 67585408

IUPAC1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCCC1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-3-13-8-10-17(11-9-13)16(18)12-14-4-6-15(19-2)7-5-14/h4-7,13H,3,8-12H2,1-2H3
InChIKeyXDSCZHMSKKWSIR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds4

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

1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 67585408) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID67585408
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCCC1CCN(C(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H23NO2/c1-3-13-8-10-17(11-9-13)16(18)12-14-4-6-15(19-2)7-5-14/h4-7,13H,3,8-12H2,1-2H3
InChIKeyXDSCZHMSKKWSIR-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone
CID 63591376
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119483951
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
2,2,2-trifluoro-N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]acetamide
CID 108932658
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 110396830
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396
1-[4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97039635
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone (CID 67585408) is 1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone is CCC1CCN(C(=O)Cc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is XDSCZHMSKKWSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-13-8-10-17(11-9-13)16(18)12-14-4-6-15(19-2)7-5-14/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone?
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 67585408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).