2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone

C14H20N2O2 — CID 62499161

IUPAC2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-13-5-7-16(8-6-13)14(17)10-11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10,15H2,1H3
InChIKeyULRIIUDSGMXTIW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds3

About 2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone

2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone (PubChem CID 62499161) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone
PubChem CID62499161
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCN(C(=O)Cc2cccc(N)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-13-5-7-16(8-6-13)14(17)10-11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10,15H2,1H3
InChIKeyULRIIUDSGMXTIW-UHFFFAOYSA-N
XLogP1.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
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-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972458
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 62499348
2-(3-aminophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 28689676
1-(3-methoxypyrrolidin-1-yl)-2-(3-methylsulfanylphenyl)ethanone
CID 123779401
2-(3-aminophenyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62499024
2-(3-aminophenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 62499989
2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264
2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 62498346
2-(3-aminophenyl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62498335
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
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-(4-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone (CID 62499161) is 2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone is COC1CCN(C(=O)Cc2cccc(N)c2)CC1.
What is the InChIKey of 2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone?
The InChIKey is ULRIIUDSGMXTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13-5-7-16(8-6-13)14(17)10-11-3-2-4-12(15)9-11/h2-4,9,13H,5-8,10,15H2,1H3.
What are the key properties of 2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone?
2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 62499161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).