ethyl piperazine-1-carboxylate;formyl chloride

C8H15ClN2O3 — CID 174617176

IUPACethyl piperazine-1-carboxylate;formyl chloride
SMILESCCOC(=O)N1CCNCC1.O=CCl
InChIInChI=1S/C7H14N2O2.CHClO/c1-2-11-7(10)9-5-3-8-4-6-9;2-1-3/h8H,2-6H2,1H3;1H
InChIKeyNHDGLUDLPCIZOI-UHFFFAOYSA-N
MW222.67 g/mol
LogP0.46
Rot. Bonds1

About ethyl piperazine-1-carboxylate;formyl chloride

ethyl piperazine-1-carboxylate;formyl chloride (PubChem CID 174617176) has the molecular formula C8H15ClN2O3 and a molecular weight of 222.67 g/mol. Its IUPAC name is ethyl piperazine-1-carboxylate;formyl chloride.

Molecular Properties

Compound Nameethyl piperazine-1-carboxylate;formyl chloride
PubChem CID174617176
Molecular FormulaC8H15ClN2O3
Molecular Weight222.67 g/mol
Exact Mass222.08
IUPAC Nameethyl piperazine-1-carboxylate;formyl chloride
SMILESCCOC(=O)N1CCNCC1.O=CCl
InChIInChI=1S/C7H14N2O2.CHClO/c1-2-11-7(10)9-5-3-8-4-6-9;2-1-3/h8H,2-6H2,1H3;1H
InChIKeyNHDGLUDLPCIZOI-UHFFFAOYSA-N
XLogP0.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-formylpiperazine-1-carboxylate
CID 14972642
ethane;ethyl pyrrolidine-1-carboxylate;piperidin-4-one
CID 143592038
2-(dimethylamino)ethyl piperazine-1-carboxylate
CID 154187930
(1-ethoxycyclopropyl)-piperazin-1-ylmethanone
CID 155895636
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
bis(ethenyl) 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
CID 14938690

Frequently Asked Questions

What is the IUPAC name of ethyl piperazine-1-carboxylate;formyl chloride?
The IUPAC name of ethyl piperazine-1-carboxylate;formyl chloride (CID 174617176) is ethyl piperazine-1-carboxylate;formyl chloride.
What is the SMILES notation for ethyl piperazine-1-carboxylate;formyl chloride?
The canonical SMILES for ethyl piperazine-1-carboxylate;formyl chloride is CCOC(=O)N1CCNCC1.O=CCl.
What is the InChIKey of ethyl piperazine-1-carboxylate;formyl chloride?
The InChIKey is NHDGLUDLPCIZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.CHClO/c1-2-11-7(10)9-5-3-8-4-6-9;2-1-3/h8H,2-6H2,1H3;1H.
What are the key properties of ethyl piperazine-1-carboxylate;formyl chloride?
ethyl piperazine-1-carboxylate;formyl chloride has a molecular weight of 222.67 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl piperazine-1-carboxylate;formyl chloride is sourced from PubChem (CID 174617176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).