ethyl piperazine-1-carboxylate

C7H14N2O2 — CID 8431

IUPACethyl piperazine-1-carboxylate
SMILESCCOC(=O)N1CCNCC1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
InChIKeyLNOQURRKNJKKBU-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.05
Rot. Bonds1

About ethyl piperazine-1-carboxylate

ethyl piperazine-1-carboxylate (PubChem CID 8431) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl piperazine-1-carboxylate
PubChem CID8431
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethyl piperazine-1-carboxylate
SMILESCCOC(=O)N1CCNCC1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
InChIKeyLNOQURRKNJKKBU-UHFFFAOYSA-N
XLogP0.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl piperazine-1-carboxylate?
The IUPAC name of ethyl piperazine-1-carboxylate (CID 8431) is ethyl piperazine-1-carboxylate.
What is the SMILES notation for ethyl piperazine-1-carboxylate?
The canonical SMILES for ethyl piperazine-1-carboxylate is CCOC(=O)N1CCNCC1.
What is the InChIKey of ethyl piperazine-1-carboxylate?
The InChIKey is LNOQURRKNJKKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3.
What are the key properties of ethyl piperazine-1-carboxylate?
ethyl piperazine-1-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl piperazine-1-carboxylate is sourced from PubChem (CID 8431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).