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

C18H27NO2 — CID 114425653

IUPAC2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CC2CC(CC)CCN2)cc1
InChIInChI=1S/C18H27NO2/c1-3-11-21-17-7-5-15(6-8-17)18(20)13-16-12-14(4-2)9-10-19-16/h5-8,14,16,19H,3-4,9-13H2,1-2H3
InChIKeyLFJQLEJMPUXNRX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.83
Rot. Bonds7

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

2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone (PubChem CID 114425653) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone
PubChem CID114425653
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CC2CC(CC)CCN2)cc1
InChIInChI=1S/C18H27NO2/c1-3-11-21-17-7-5-15(6-8-17)18(20)13-16-12-14(4-2)9-10-19-16/h5-8,14,16,19H,3-4,9-13H2,1-2H3
InChIKeyLFJQLEJMPUXNRX-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425688
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
2-cyclohexyl-1-(4-propoxyphenyl)ethanone
CID 12505088
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-propoxyphenyl)ethanone
CID 116595481
3-[2-(4-ethylpiperidin-2-yl)acetyl]benzonitrile
CID 114425849
1-[4-(3-phenoxypropoxy)phenyl]-2-piperidin-2-ylethanone
CID 22237356
(3-ethylcyclohexyl)-(4-propoxyphenyl)methanone
CID 65402526
2-(4-ethylpiperidin-2-yl)-1-(3-nitrophenyl)ethanone
CID 114425770
(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone
CID 116592105
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone?
The IUPAC name of 2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone (CID 114425653) is 2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone?
The canonical SMILES for 2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone is CCCOc1ccc(C(=O)CC2CC(CC)CCN2)cc1.
What is the InChIKey of 2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone?
The InChIKey is LFJQLEJMPUXNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-11-21-17-7-5-15(6-8-17)18(20)13-16-12-14(4-2)9-10-19-16/h5-8,14,16,19H,3-4,9-13H2,1-2H3.
What are the key properties of 2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone?
2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone is sourced from PubChem (CID 114425653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).