1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone

C16H23NO2 — CID 112977253

IUPAC1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccccc1C
InChIInChI=1S/C16H23NO2/c1-3-14-9-6-7-11-17(14)16(18)12-19-15-10-5-4-8-13(15)2/h4-5,8,10,14H,3,6-7,9,11-12H2,1-2H3
InChIKeyFAZSTQBBYZPHDM-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone

1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone (PubChem CID 112977253) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
PubChem CID112977253
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCCC1CCCCN1C(=O)COc1ccccc1C
InChIInChI=1S/C16H23NO2/c1-3-14-9-6-7-11-17(14)16(18)12-19-15-10-5-4-8-13(15)2/h4-5,8,10,14H,3,6-7,9,11-12H2,1-2H3
InChIKeyFAZSTQBBYZPHDM-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(hydroxymethyl)azepan-1-yl]-2-(2-methylphenoxy)ethanone
CID 116636020
2-(2,4-dimethylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112977889
2-[2-(aminomethyl)phenoxy]-1-(2-ethylpiperidin-1-yl)ethanone
CID 43266232
2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 4051969
2-(2,3-dichlorophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 17249017
1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 19169486
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 23904804
2-(2-chloro-5-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 112978935
1-(2-ethylpiperidin-1-yl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640716
2-(2,4-dibromophenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 42885187
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone (CID 112977253) is 1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone is CCC1CCCCN1C(=O)COc1ccccc1C.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone?
The InChIKey is FAZSTQBBYZPHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-14-9-6-7-11-17(14)16(18)12-19-15-10-5-4-8-13(15)2/h4-5,8,10,14H,3,6-7,9,11-12H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 112977253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).