2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone

C15H21NO5 — CID 39404473

IUPAC2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCOc1cccc(OCC(=O)N2CCC(O)CC2)c1OC
InChIInChI=1S/C15H21NO5/c1-19-12-4-3-5-13(15(12)20-2)21-10-14(18)16-8-6-11(17)7-9-16/h3-5,11,17H,6-10H2,1-2H3
InChIKeyDNKHKIHMBNJNQJ-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.07
Rot. Bonds5

About 2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone

2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 39404473) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID39404473
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCOc1cccc(OCC(=O)N2CCC(O)CC2)c1OC
InChIInChI=1S/C15H21NO5/c1-19-12-4-3-5-13(15(12)20-2)21-10-14(18)16-8-6-11(17)7-9-16/h3-5,11,17H,6-10H2,1-2H3
InChIKeyDNKHKIHMBNJNQJ-UHFFFAOYSA-N
XLogP1.07
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 39445675
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
1-(4-hydroxypiperidin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 39376391
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
N-cyclopropyl-N-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-2-(2-methoxyphenoxy)acetamide
CID 84561918
N-cyclopropyl-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978329
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one
CID 42570146
2-(2,4-difluorophenoxy)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 72912911
2-(2-chloro-4-fluorophenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39389860
N-cyclopropyl-1-[2-(2-methoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 113002547

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 39404473) is 2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone is COc1cccc(OCC(=O)N2CCC(O)CC2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is DNKHKIHMBNJNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-19-12-4-3-5-13(15(12)20-2)21-10-14(18)16-8-6-11(17)7-9-16/h3-5,11,17H,6-10H2,1-2H3.
What are the key properties of 2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 295.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 39404473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).