2-(2-aminophenoxy)-1-piperazin-1-ylethanone

C12H17N3O2 — CID 82510509

IUPAC2-(2-aminophenoxy)-1-piperazin-1-ylethanone
SMILESNc1ccccc1OCC(=O)N1CCNCC1
InChIInChI=1S/C12H17N3O2/c13-10-3-1-2-4-11(10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9,13H2
InChIKeyOQRIRCJYTLOJIM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.08
Rot. Bonds3

About 2-(2-aminophenoxy)-1-piperazin-1-ylethanone

2-(2-aminophenoxy)-1-piperazin-1-ylethanone (PubChem CID 82510509) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-piperazin-1-ylethanone
PubChem CID82510509
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(2-aminophenoxy)-1-piperazin-1-ylethanone
SMILESNc1ccccc1OCC(=O)N1CCNCC1
InChIInChI=1S/C12H17N3O2/c13-10-3-1-2-4-11(10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9,13H2
InChIKeyOQRIRCJYTLOJIM-UHFFFAOYSA-N
XLogP0.08
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
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-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43133117
2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
CID 63653956
2-(2-aminophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 61026528
2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
CID 61115282
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973808
1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 43575397
2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide
CID 62543936
2-(2-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16772853
2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796661
2-(2-chloro-4-phenylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119401188

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(2-aminophenoxy)-1-piperazin-1-ylethanone (CID 82510509) is 2-(2-aminophenoxy)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2-aminophenoxy)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(2-aminophenoxy)-1-piperazin-1-ylethanone is Nc1ccccc1OCC(=O)N1CCNCC1.
What is the InChIKey of 2-(2-aminophenoxy)-1-piperazin-1-ylethanone?
The InChIKey is OQRIRCJYTLOJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-10-3-1-2-4-11(10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9,13H2.
What are the key properties of 2-(2-aminophenoxy)-1-piperazin-1-ylethanone?
2-(2-aminophenoxy)-1-piperazin-1-ylethanone has a molecular weight of 235.29 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82510509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).