ethyl piperazine-1-carboxylate;sulfuric acid

C7H16N2O6S — CID 69107916

IUPACethyl piperazine-1-carboxylate;sulfuric acid
SMILESCCOC(=O)N1CCNCC1.O=S(=O)(O)O
InChIInChI=1S/C7H14N2O2.H2O4S/c1-2-11-7(10)9-5-3-8-4-6-9;1-5(2,3)4/h8H,2-6H2,1H3;(H2,1,2,3,4)
InChIKeyJGOSBBXESFJFCE-UHFFFAOYSA-N
MW256.28 g/mol
LogP-0.60
Rot. Bonds1

About ethyl piperazine-1-carboxylate;sulfuric acid

ethyl piperazine-1-carboxylate;sulfuric acid (PubChem CID 69107916) has the molecular formula C7H16N2O6S and a molecular weight of 256.28 g/mol. Its IUPAC name is ethyl piperazine-1-carboxylate;sulfuric acid.

Molecular Properties

Compound Nameethyl piperazine-1-carboxylate;sulfuric acid
PubChem CID69107916
Molecular FormulaC7H16N2O6S
Molecular Weight256.28 g/mol
Exact Mass256.07
IUPAC Nameethyl piperazine-1-carboxylate;sulfuric acid
SMILESCCOC(=O)N1CCNCC1.O=S(=O)(O)O
InChIInChI=1S/C7H14N2O2.H2O4S/c1-2-11-7(10)9-5-3-8-4-6-9;1-5(2,3)4/h8H,2-6H2,1H3;(H2,1,2,3,4)
InChIKeyJGOSBBXESFJFCE-UHFFFAOYSA-N
XLogP-0.60
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
ethyl piperazine-1-carboxylate;formyl chloride
CID 174617176
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
ethyl azetidine-1-carboxylate
CID 14088501
ethane;ethyl pyrrolidine-1-carboxylate;piperidin-4-one
CID 143592038
2-(dimethylamino)ethyl piperazine-1-carboxylate
CID 154187930
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252
butane;tert-butyl piperazine-1-carboxylate
CID 170170212

Frequently Asked Questions

What is the IUPAC name of ethyl piperazine-1-carboxylate;sulfuric acid?
The IUPAC name of ethyl piperazine-1-carboxylate;sulfuric acid (CID 69107916) is ethyl piperazine-1-carboxylate;sulfuric acid.
What is the SMILES notation for ethyl piperazine-1-carboxylate;sulfuric acid?
The canonical SMILES for ethyl piperazine-1-carboxylate;sulfuric acid is CCOC(=O)N1CCNCC1.O=S(=O)(O)O.
What is the InChIKey of ethyl piperazine-1-carboxylate;sulfuric acid?
The InChIKey is JGOSBBXESFJFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2.H2O4S/c1-2-11-7(10)9-5-3-8-4-6-9;1-5(2,3)4/h8H,2-6H2,1H3;(H2,1,2,3,4).
What are the key properties of ethyl piperazine-1-carboxylate;sulfuric acid?
ethyl piperazine-1-carboxylate;sulfuric acid has a molecular weight of 256.28 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl piperazine-1-carboxylate;sulfuric acid is sourced from PubChem (CID 69107916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).