ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride

C7H17Cl2N3O2 — CID 133054505

IUPACethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
SMILESCCOC(=O)N1CCN(N)CC1.Cl.Cl
InChIInChI=1S/C7H15N3O2.2ClH/c1-2-12-7(11)9-3-5-10(8)6-4-9;;/h2-6,8H2,1H3;2*1H
InChIKeyXQPWLFQHVDKVNC-UHFFFAOYSA-N
MW246.14 g/mol
LogP0.48
Rot. Bonds1

About ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride

ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride (PubChem CID 133054505) has the molecular formula C7H17Cl2N3O2 and a molecular weight of 246.14 g/mol. Its IUPAC name is ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
PubChem CID133054505
Molecular FormulaC7H17Cl2N3O2
Molecular Weight246.14 g/mol
Exact Mass245.07
IUPAC Nameethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
SMILESCCOC(=O)N1CCN(N)CC1.Cl.Cl
InChIInChI=1S/C7H15N3O2.2ClH/c1-2-12-7(11)9-3-5-10(8)6-4-9;;/h2-6,8H2,1H3;2*1H
InChIKeyXQPWLFQHVDKVNC-UHFFFAOYSA-N
XLogP0.48
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl azetidine-1-carboxylate
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CID 58731641
CID 58731641
ethyl azacycloundecane-1-carboxylate
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ethyl pyrrolidine-1-carboxylate;methanol
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bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
CID 175064329
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642
CID 58181055
CID 58181055
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
ethyl 4-(N'-methylcarbamimidoyl)piperazine-1-carboxylate;hydroiodide
CID 111163467

Frequently Asked Questions

What is the IUPAC name of ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride?
The IUPAC name of ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride (CID 133054505) is ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride is CCOC(=O)N1CCN(N)CC1.Cl.Cl.
What is the InChIKey of ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride?
The InChIKey is XQPWLFQHVDKVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2.2ClH/c1-2-12-7(11)9-3-5-10(8)6-4-9;;/h2-6,8H2,1H3;2*1H.
What are the key properties of ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride?
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride has a molecular weight of 246.14 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride is sourced from PubChem (CID 133054505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).