1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone

C19H29NO2 — CID 82054000

IUPAC1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCCOc1ccc(C(C)C)cc1C(=O)CN1CCC(C)CC1
InChIInChI=1S/C19H29NO2/c1-5-22-19-7-6-16(14(2)3)12-17(19)18(21)13-20-10-8-15(4)9-11-20/h6-7,12,14-15H,5,8-11,13H2,1-4H3
InChIKeyURTVBFDGJRJJDR-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.12
Rot. Bonds6

About 1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone

1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 82054000) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID82054000
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCCOc1ccc(C(C)C)cc1C(=O)CN1CCC(C)CC1
InChIInChI=1S/C19H29NO2/c1-5-22-19-7-6-16(14(2)3)12-17(19)18(21)13-20-10-8-15(4)9-11-20/h6-7,12,14-15H,5,8-11,13H2,1-4H3
InChIKeyURTVBFDGJRJJDR-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053998
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053961
1-[2-(2-ethoxy-5-methylphenyl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 82136178
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43228143
1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148
1-(5-chloro-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051125
1-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylethanone
CID 82051126
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
1-[2,5-di(propan-2-yl)phenyl]-2-morpholin-4-ylethanone;hydrochloride
CID 53422269
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone (CID 82054000) is 1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone is CCOc1ccc(C(C)C)cc1C(=O)CN1CCC(C)CC1.
What is the InChIKey of 1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is URTVBFDGJRJJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-5-22-19-7-6-16(14(2)3)12-17(19)18(21)13-20-10-8-15(4)9-11-20/h6-7,12,14-15H,5,8-11,13H2,1-4H3.
What are the key properties of 1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone?
1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 303.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 82054000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).