1-(2-amino-5-piperazin-1-ylphenyl)ethanone

C12H17N3O — CID 104612700

IUPAC1-(2-amino-5-piperazin-1-ylphenyl)ethanone
SMILESCC(=O)c1cc(N2CCNCC2)ccc1N
InChIInChI=1S/C12H17N3O/c1-9(16)11-8-10(2-3-12(11)13)15-6-4-14-5-7-15/h2-3,8,14H,4-7,13H2,1H3
InChIKeyFIDIFYNOKRSKHE-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.88
Rot. Bonds2

About 1-(2-amino-5-piperazin-1-ylphenyl)ethanone

1-(2-amino-5-piperazin-1-ylphenyl)ethanone (PubChem CID 104612700) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(2-amino-5-piperazin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-piperazin-1-ylphenyl)ethanone
PubChem CID104612700
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(2-amino-5-piperazin-1-ylphenyl)ethanone
SMILESCC(=O)c1cc(N2CCNCC2)ccc1N
InChIInChI=1S/C12H17N3O/c1-9(16)11-8-10(2-3-12(11)13)15-6-4-14-5-7-15/h2-3,8,14H,4-7,13H2,1H3
InChIKeyFIDIFYNOKRSKHE-UHFFFAOYSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.88
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

1-[2-amino-5-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanone
CID 104612778
4-(3-acetyl-4-aminophenyl)piperazine-2,6-dione
CID 113433052
4-[4-(4-amino-3-methylphenyl)-1,4,7-triazonan-1-yl]-2-methylaniline
CID 23103839
1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
CID 113433024
1-[2-(1-methoxyethyl)-5-piperazin-1-ylphenyl]ethanone
CID 177194654
1-[2-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanone
CID 104612490
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
2-amino-5-(4-propan-2-ylpiperazin-1-yl)benzoic acid
CID 60989507
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
CID 159731714
1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone
CID 104613094
1-[2-amino-5-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 113433026

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-piperazin-1-ylphenyl)ethanone?
The IUPAC name of 1-(2-amino-5-piperazin-1-ylphenyl)ethanone (CID 104612700) is 1-(2-amino-5-piperazin-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-piperazin-1-ylphenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-piperazin-1-ylphenyl)ethanone is CC(=O)c1cc(N2CCNCC2)ccc1N.
What is the InChIKey of 1-(2-amino-5-piperazin-1-ylphenyl)ethanone?
The InChIKey is FIDIFYNOKRSKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(16)11-8-10(2-3-12(11)13)15-6-4-14-5-7-15/h2-3,8,14H,4-7,13H2,1H3.
What are the key properties of 1-(2-amino-5-piperazin-1-ylphenyl)ethanone?
1-(2-amino-5-piperazin-1-ylphenyl)ethanone has a molecular weight of 219.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-piperazin-1-ylphenyl)ethanone is sourced from PubChem (CID 104612700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).