2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone

C15H22N2O3 — CID 63973808

IUPAC2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCN(C(=O)COc2ccccc2N)CC1
InChIInChI=1S/C15H22N2O3/c1-19-10-12-6-8-17(9-7-12)15(18)11-20-14-5-3-2-4-13(14)16/h2-5,12H,6-11,16H2,1H3
InChIKeyQLAOIZXVBOJUSG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.53
Rot. Bonds5

About 2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone

2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone (PubChem CID 63973808) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
PubChem CID63973808
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCN(C(=O)COc2ccccc2N)CC1
InChIInChI=1S/C15H22N2O3/c1-19-10-12-6-8-17(9-7-12)15(18)11-20-14-5-3-2-4-13(14)16/h2-5,12H,6-11,16H2,1H3
InChIKeyQLAOIZXVBOJUSG-UHFFFAOYSA-N
XLogP1.53
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64570188
2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
CID 61115282
2-(2-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43133117
2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796661
2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971281
1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 43575397
2-(2-aminophenoxy)-1-piperazin-1-ylethanone
CID 82510509
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
2-(2-aminophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 61026528
3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 62199061
2-(2-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16772853
2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972458

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone (CID 63973808) is 2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone is COCC1CCN(C(=O)COc2ccccc2N)CC1.
What is the InChIKey of 2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is QLAOIZXVBOJUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-10-12-6-8-17(9-7-12)15(18)11-20-14-5-3-2-4-13(14)16/h2-5,12H,6-11,16H2,1H3.
What are the key properties of 2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 278.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 63973808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).