2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone

C15H22N2O — CID 62498346

IUPAC2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H22N2O/c1-2-14-8-3-4-9-17(14)15(18)11-12-6-5-7-13(16)10-12/h5-7,10,14H,2-4,8-9,11,16H2,1H3
InChIKeyRJUFEGIMPLIDQF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.60
Rot. Bonds3

About 2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone

2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 62498346) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID62498346
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H22N2O/c1-2-14-8-3-4-9-17(14)15(18)11-12-6-5-7-13(16)10-12/h5-7,10,14H,2-4,8-9,11,16H2,1H3
InChIKeyRJUFEGIMPLIDQF-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(2-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399838
2-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62498208
2-(3-aminophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 18894939
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946
(E)-3-(3-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)prop-2-en-1-one
CID 113290869
2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 61103114
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264
2-[(2S)-1-[2-(3-fluorophenyl)acetyl]piperidin-2-yl]acetamide
CID 95294234
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 43421553

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone (CID 62498346) is 2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is RJUFEGIMPLIDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-14-8-3-4-9-17(14)15(18)11-12-6-5-7-13(16)10-12/h5-7,10,14H,2-4,8-9,11,16H2,1H3.
What are the key properties of 2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.60, 3 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-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62498346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).