2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone

C13H16ClNO3 — CID 43390712

IUPAC2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCCC(O)C1
InChIInChI=1S/C13H16ClNO3/c14-11-5-1-2-6-12(11)18-9-13(17)15-7-3-4-10(16)8-15/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyAYVJDLKGXXMZOO-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.70
Rot. Bonds3

About 2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone

2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 43390712) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID43390712
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCCC(O)C1
InChIInChI=1S/C13H16ClNO3/c14-11-5-1-2-6-12(11)18-9-13(17)15-7-3-4-10(16)8-15/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyAYVJDLKGXXMZOO-UHFFFAOYSA-N
XLogP1.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-hydroxypiperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 107224280
2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390761
2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide
CID 107224218
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110878366
N'-hydroxy-2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 76904159
2-(2-chlorophenoxy)-1-[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 110108168
1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
CID 141217878
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 46509164
2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 78889023
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650
3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93032761
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone (CID 43390712) is 2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone is O=C(COc1ccccc1Cl)N1CCCC(O)C1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is AYVJDLKGXXMZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-11-5-1-2-6-12(11)18-9-13(17)15-7-3-4-10(16)8-15/h1-2,5-6,10,16H,3-4,7-9H2.
What are the key properties of 2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 269.73 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43390712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).