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

C15H22N2O3 — CID 63971281

IUPAC2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCN(C(=O)COc2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N2O3/c1-19-10-12-6-8-17(9-7-12)15(18)11-20-14-4-2-13(16)3-5-14/h2-5,12H,6-11,16H2,1H3
InChIKeyXABTYJAHKRVTBM-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.53
Rot. Bonds5

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

2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone (PubChem CID 63971281) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
PubChem CID63971281
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCN(C(=O)COc2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N2O3/c1-19-10-12-6-8-17(9-7-12)15(18)11-20-14-4-2-13(16)3-5-14/h2-5,12H,6-11,16H2,1H3
InChIKeyXABTYJAHKRVTBM-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 91776713
2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 62090187
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973808
2-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 119129466
3-(4-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 61093576
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
2-(4-aminophenyl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64568201
2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63168515
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-aminophenoxy)ethanone
CID 61102892
2-(2-aminophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64570188

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone (CID 63971281) is 2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone is COCC1CCN(C(=O)COc2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is XABTYJAHKRVTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-10-12-6-8-17(9-7-12)15(18)11-20-14-4-2-13(16)3-5-14/h2-5,12H,6-11,16H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone?
2-(4-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-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 63971281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).