ethyl 4-formylpiperazine-1-carboxylate

C8H14N2O3 — CID 14972642

IUPACethyl 4-formylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C8H14N2O3/c1-2-13-8(12)10-5-3-9(7-11)4-6-10/h7H,2-6H2,1H3
InChIKeyNTDUIFOOQMHSPT-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.08
Rot. Bonds2

About ethyl 4-formylpiperazine-1-carboxylate

ethyl 4-formylpiperazine-1-carboxylate (PubChem CID 14972642) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is ethyl 4-formylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-formylpiperazine-1-carboxylate
PubChem CID14972642
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Nameethyl 4-formylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C8H14N2O3/c1-2-13-8(12)10-5-3-9(7-11)4-6-10/h7H,2-6H2,1H3
InChIKeyNTDUIFOOQMHSPT-UHFFFAOYSA-N
XLogP-0.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
(2,4,6-trimethylphenyl)methyl 4-formylpiperazine-1-carboxylate
CID 87851965
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-(2,2-dicyanoethenyl)piperazine-1-carboxylate
CID 110190559
ethyl 4-aminopiperazine-1-carboxylate;dihydrochloride
CID 133054505
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
CID 58731641
CID 58731641
ethyl 4-[3-(4-formylpiperazin-1-yl)propanoylamino]piperidine-1-carboxylate
CID 109017978
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl azacycloundecane-1-carboxylate
CID 67670496
bis(2-ethoxy-2-oxoethyl) piperazine-1,4-dicarboxylate
CID 175064329
CID 58181055
CID 58181055

Frequently Asked Questions

What is the IUPAC name of ethyl 4-formylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-formylpiperazine-1-carboxylate (CID 14972642) is ethyl 4-formylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-formylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-formylpiperazine-1-carboxylate is CCOC(=O)N1CCN(C=O)CC1.
What is the InChIKey of ethyl 4-formylpiperazine-1-carboxylate?
The InChIKey is NTDUIFOOQMHSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-13-8(12)10-5-3-9(7-11)4-6-10/h7H,2-6H2,1H3.
What are the key properties of ethyl 4-formylpiperazine-1-carboxylate?
ethyl 4-formylpiperazine-1-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-formylpiperazine-1-carboxylate is sourced from PubChem (CID 14972642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).