2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone

C15H21NO4 — CID 107224272

IUPAC2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
SMILESCCOc1ccc(OCC(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C15H21NO4/c1-2-19-13-5-7-14(8-6-13)20-11-15(18)16-9-3-4-12(17)10-16/h5-8,12,17H,2-4,9-11H2,1H3/t12-/m0/s1
InChIKeyOOMFGHSSOSYIRP-LBPRGKRZSA-N
MW279.34 g/mol
LogP1.45
Rot. Bonds5

About 2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone

2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone (PubChem CID 107224272) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
PubChem CID107224272
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
SMILESCCOc1ccc(OCC(=O)N2CCC[C@H](O)C2)cc1
InChIInChI=1S/C15H21NO4/c1-2-19-13-5-7-14(8-6-13)20-11-15(18)16-9-3-4-12(17)10-16/h5-8,12,17H,2-4,9-11H2,1H3/t12-/m0/s1
InChIKeyOOMFGHSSOSYIRP-LBPRGKRZSA-N
XLogP1.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390762
2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255770
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
CID 134020442
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
2-(4-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403279
1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 45429347

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone (CID 107224272) is 2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone is CCOc1ccc(OCC(=O)N2CCC[C@H](O)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
The InChIKey is OOMFGHSSOSYIRP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-19-13-5-7-14(8-6-13)20-11-15(18)16-9-3-4-12(17)10-16/h5-8,12,17H,2-4,9-11H2,1H3/t12-/m0/s1.
What are the key properties of 2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone?
2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone has a molecular weight of 279.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 107224272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).