1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

C17H25NO3 — CID 107228038

IUPAC1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCCOc1ccc(C(=O)CN2CCCC(CCO)C2)cc1
InChIInChI=1S/C17H25NO3/c1-2-21-16-7-5-15(6-8-16)17(20)13-18-10-3-4-14(12-18)9-11-19/h5-8,14,19H,2-4,9-13H2,1H3
InChIKeyUNPJGMXBZPSBJW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.36
Rot. Bonds7

About 1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 107228038) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID107228038
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESCCOc1ccc(C(=O)CN2CCCC(CCO)C2)cc1
InChIInChI=1S/C17H25NO3/c1-2-21-16-7-5-15(6-8-16)17(20)13-18-10-3-4-14(12-18)9-11-19/h5-8,14,19H,2-4,9-13H2,1H3
InChIKeyUNPJGMXBZPSBJW-UHFFFAOYSA-N
XLogP2.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798437
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile
CID 107228070
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 107227861
2-(4-ethoxyphenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62355915
N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 62356988
3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 104926788
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 104967905
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(4-ethoxyphenyl)ethanone
CID 93026036
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
4-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889619
2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 62123584

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 107228038) is 1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is CCOc1ccc(C(=O)CN2CCCC(CCO)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is UNPJGMXBZPSBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-21-16-7-5-15(6-8-16)17(20)13-18-10-3-4-14(12-18)9-11-19/h5-8,14,19H,2-4,9-13H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 107228038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).