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

C20H23NO3 — CID 110878366

IUPAC2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccccc1Cc1ccccc1)N1CCCC(O)C1
InChIInChI=1S/C20H23NO3/c22-18-10-6-12-21(14-18)20(23)15-24-19-11-5-4-9-17(19)13-16-7-2-1-3-8-16/h1-5,7-9,11,18,22H,6,10,12-15H2
InChIKeyURKJIOJIYJYJPT-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.64
Rot. Bonds5

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

2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 110878366) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID110878366
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccccc1Cc1ccccc1)N1CCCC(O)C1
InChIInChI=1S/C20H23NO3/c22-18-10-6-12-21(14-18)20(23)15-24-19-11-5-4-9-17(19)13-16-7-2-1-3-8-16/h1-5,7-9,11,18,22H,6,10,12-15H2
InChIKeyURKJIOJIYJYJPT-UHFFFAOYSA-N
XLogP2.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
2-(2-chlorophenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390712
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124611231
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethoxy]benzamide
CID 107224218
methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
CID 8922558
2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 56570370
1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 7936761
N'-hydroxy-2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 76904159
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650
1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
CID 141217878
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone (CID 110878366) is 2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone is O=C(COc1ccccc1Cc1ccccc1)N1CCCC(O)C1.
What is the InChIKey of 2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is URKJIOJIYJYJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-18-10-6-12-21(14-18)20(23)15-24-19-11-5-4-9-17(19)13-16-7-2-1-3-8-16/h1-5,7-9,11,18,22H,6,10,12-15H2.
What are the key properties of 2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone?
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 110878366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).