2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone

C15H22N2O — CID 43831264

IUPAC2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H22N2O/c1-11-5-3-6-12(2)17(11)15(18)10-13-7-4-8-14(16)9-13/h4,7-9,11-12H,3,5-6,10,16H2,1-2H3
InChIKeyYNPJUXFEXLHREX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.60
Rot. Bonds2

About 2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 43831264) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID43831264
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H22N2O/c1-11-5-3-6-12(2)17(11)15(18)10-13-7-4-8-14(16)9-13/h4,7-9,11-12H,3,5-6,10,16H2,1-2H3
InChIKeyYNPJUXFEXLHREX-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 43309137
1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399740
2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16784397
2-(3-aminophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 28689676
2-(3-aminophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 114085754
2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 106773667
2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 62498346
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
2-(3-aminophenyl)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689697
2-(3-aminophenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 62499989
2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 62499161
2-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62498208

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 43831264) is 2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is YNPJUXFEXLHREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-3-6-12(2)17(11)15(18)10-13-7-4-8-14(16)9-13/h4,7-9,11-12H,3,5-6,10,16H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43831264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).