2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone

C13H17NO3 — CID 43143553

IUPAC2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
SMILESO=C(COc1cccc(O)c1)N1CCCCC1
InChIInChI=1S/C13H17NO3/c15-11-5-4-6-12(9-11)17-10-13(16)14-7-2-1-3-8-14/h4-6,9,15H,1-3,7-8,10H2
InChIKeyYCOKDYIAOAQIAB-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.78
Rot. Bonds3

About 2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone

2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone (PubChem CID 43143553) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
PubChem CID43143553
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
SMILESO=C(COc1cccc(O)c1)N1CCCCC1
InChIInChI=1S/C13H17NO3/c15-11-5-4-6-12(9-11)17-10-13(16)14-7-2-1-3-8-14/h4-6,9,15H,1-3,7-8,10H2
InChIKeyYCOKDYIAOAQIAB-UHFFFAOYSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 30118492
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
CID 117097629
2-[3-(2-aminopropyl)phenoxy]-1-(azepan-1-yl)ethanone
CID 60906670
2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440445
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(3-hydroxyphenoxy)ethanone
CID 4741117
2-(3-hydroxyphenoxy)-1-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164556804
2-[4-[2-(3-hydroxyphenoxy)acetyl]piperazin-1-ium-1-yl]ethanesulfonate
CID 2051318
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
(2R)-2-hydroxy-3-[4-[2-(3-hydroxyphenoxy)acetyl]piperazin-1-yl]propane-1-sulfonic acid
CID 2051367
1-(azepan-1-yl)-2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]ethanone
CID 107684569
2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone
CID 60906554

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone (CID 43143553) is 2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone is O=C(COc1cccc(O)c1)N1CCCCC1.
What is the InChIKey of 2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone?
The InChIKey is YCOKDYIAOAQIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-11-5-4-6-12(9-11)17-10-13(16)14-7-2-1-3-8-14/h4-6,9,15H,1-3,7-8,10H2.
What are the key properties of 2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone?
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone has a molecular weight of 235.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone is sourced from PubChem (CID 43143553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).