2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone

C18H27NO2 — CID 114425650

IUPAC2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone
SMILESCCC1CCNC(CC(=O)c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C18H27NO2/c1-4-14-9-10-19-16(11-14)12-18(20)15-5-7-17(8-6-15)21-13(2)3/h5-8,13-14,16,19H,4,9-12H2,1-3H3
InChIKeyZIGFXZXAFASJDA-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.82
Rot. Bonds6

About 2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone

2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone (PubChem CID 114425650) 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-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone
PubChem CID114425650
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone
SMILESCCC1CCNC(CC(=O)c2ccc(OC(C)C)cc2)C1
InChIInChI=1S/C18H27NO2/c1-4-14-9-10-19-16(11-14)12-18(20)15-5-7-17(8-6-15)21-13(2)3/h5-8,13-14,16,19H,4,9-12H2,1-3H3
InChIKeyZIGFXZXAFASJDA-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.82
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-propoxyphenyl)ethanone
CID 114425653
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
2-(4-ethylpiperidin-2-yl)-1-(3-nitrophenyl)ethanone
CID 114425770
(4-ethylcyclohexyl)-(4-propan-2-yloxyphenyl)methanone
CID 65393507
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-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol
CID 117000423
1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560870
1-(3-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586621

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone (CID 114425650) is 2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone is CCC1CCNC(CC(=O)c2ccc(OC(C)C)cc2)C1.
What is the InChIKey of 2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone?
The InChIKey is ZIGFXZXAFASJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-14-9-10-19-16(11-14)12-18(20)15-5-7-17(8-6-15)21-13(2)3/h5-8,13-14,16,19H,4,9-12H2,1-3H3.
What are the key properties of 2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone?
2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.82, 6 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-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 114425650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).