1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone

C13H19N3O2 — CID 113392458

IUPAC1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(N2CCN(C(C)=O)CC2)c1N
InChIInChI=1S/C13H19N3O2/c1-10(17)15-6-8-16(9-7-15)11-4-3-5-12(18-2)13(11)14/h3-5H,6-9,14H2,1-2H3
InChIKeyZEOOXXQIYPJZLD-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.95
Rot. Bonds2

About 1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone

1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 113392458) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID113392458
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(N2CCN(C(C)=O)CC2)c1N
InChIInChI=1S/C13H19N3O2/c1-10(17)15-6-8-16(9-7-15)11-4-3-5-12(18-2)13(11)14/h3-5H,6-9,14H2,1-2H3
InChIKeyZEOOXXQIYPJZLD-UHFFFAOYSA-N
XLogP0.95
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.95
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

1-(2-amino-3-methoxyphenyl)-4-methylpiperidin-4-ol
CID 113392759
1-[4-(2-amino-4-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone
CID 55215680
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
3-amino-2-methoxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 106111168
4-(2-amino-3-methoxycarbonylphenyl)piperazine-1-carboxylic acid
CID 176889718
4-(2-methoxyphenyl)-N-prop-1-en-2-ylpiperazine-1-carboxamide
CID 108910374
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 55397391
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone (CID 113392458) is 1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone is COc1cccc(N2CCN(C(C)=O)CC2)c1N.
What is the InChIKey of 1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is ZEOOXXQIYPJZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(17)15-6-8-16(9-7-15)11-4-3-5-12(18-2)13(11)14/h3-5H,6-9,14H2,1-2H3.
What are the key properties of 1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone?
1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113392458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).