2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone

C15H22N2O2 — CID 62123166

IUPAC2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)COc2cccc(N)c2)C1C
InChIInChI=1S/C15H22N2O2/c1-11-5-4-8-17(12(11)2)15(18)10-19-14-7-3-6-13(16)9-14/h3,6-7,9,11-12H,4-5,8,10,16H2,1-2H3
InChIKeyWFSIZKIKBQYJDE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone

2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone (PubChem CID 62123166) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
PubChem CID62123166
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)COc2cccc(N)c2)C1C
InChIInChI=1S/C15H22N2O2/c1-11-5-4-8-17(12(11)2)15(18)10-19-14-7-3-6-13(16)9-14/h3,6-7,9,11-12H,4-5,8,10,16H2,1-2H3
InChIKeyWFSIZKIKBQYJDE-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55040561
2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 61103114
2-(3-aminophenoxy)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 62886053
2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114677451
(2R,3R)-1-[2-(3-chlorophenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114931
(2R,3R)-1-[2-(3-acetylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114832
2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-aminophenoxy)ethanone
CID 61109614
methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate
CID 61094210
3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 61090343
2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107209920
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone (CID 62123166) is 2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)COc2cccc(N)c2)C1C.
What is the InChIKey of 2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The InChIKey is WFSIZKIKBQYJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-5-4-8-17(12(11)2)15(18)10-19-14-7-3-6-13(16)9-14/h3,6-7,9,11-12H,4-5,8,10,16H2,1-2H3.
What are the key properties of 2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62123166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).