2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone

C15H22N2O2 — CID 61115282

IUPAC2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCN(C(=O)COc2ccccc2N)CC1
InChIInChI=1S/C15H22N2O2/c1-2-12-7-9-17(10-8-12)15(18)11-19-14-6-4-3-5-13(14)16/h3-6,12H,2,7-11,16H2,1H3
InChIKeyLTVWXECCBNCOMO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.30
Rot. Bonds4

About 2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone

2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone (PubChem CID 61115282) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
PubChem CID61115282
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCN(C(=O)COc2ccccc2N)CC1
InChIInChI=1S/C15H22N2O2/c1-2-12-7-9-17(10-8-12)15(18)11-19-14-6-4-3-5-13(14)16/h3-6,12H,2,7-11,16H2,1H3
InChIKeyLTVWXECCBNCOMO-UHFFFAOYSA-N
XLogP2.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.30
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-(2-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43133117
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973808
2-(2-aminophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64570188
2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796661
1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 43575397
3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 62199061
2-(2-aminophenoxy)-1-piperazin-1-ylethanone
CID 82510509
2-(2-aminophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 61026528
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
2-(2-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16772853
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone (CID 61115282) is 2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone is CCC1CCN(C(=O)COc2ccccc2N)CC1.
What is the InChIKey of 2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone?
The InChIKey is LTVWXECCBNCOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-12-7-9-17(10-8-12)15(18)11-19-14-6-4-3-5-13(14)16/h3-6,12H,2,7-11,16H2,1H3.
What are the key properties of 2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone?
2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 61115282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).