ethyl piperazine-2-carboxylate

C7H14N2O2 — CID 10633257

IUPACethyl piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h6,8-9H,2-5H2,1H3
InChIKeyXWZHSYWFWDKJHI-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.89
Rot. Bonds2

About ethyl piperazine-2-carboxylate

ethyl piperazine-2-carboxylate (PubChem CID 10633257) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl piperazine-2-carboxylate
PubChem CID10633257
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethyl piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h6,8-9H,2-5H2,1H3
InChIKeyXWZHSYWFWDKJHI-UHFFFAOYSA-N
XLogP-0.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

pentyl piperazine-2-carboxylate
CID 173092252
3-aminopropyl (2S)-piperazine-2-carboxylate
CID 175395904
ethyl 2-(piperazine-2-carbonylamino)acetate
CID 54250774
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
ethyl (3R)-morpholine-3-carboxylate
CID 46839508
ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
ethyl 2-piperazin-2-ylpropanoate
CID 175230129
1-(1,4,7,10-tetrazacyclododec-2-yl)ethanone
CID 22113791
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
acetic acid;piperazine-2-carboxamide
CID 174786994
acetic acid;piperazine-2-carboxamide
CID 14877963

Frequently Asked Questions

What is the IUPAC name of ethyl piperazine-2-carboxylate?
The IUPAC name of ethyl piperazine-2-carboxylate (CID 10633257) is ethyl piperazine-2-carboxylate.
What is the SMILES notation for ethyl piperazine-2-carboxylate?
The canonical SMILES for ethyl piperazine-2-carboxylate is CCOC(=O)C1CNCCN1.
What is the InChIKey of ethyl piperazine-2-carboxylate?
The InChIKey is XWZHSYWFWDKJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-11-7(10)6-5-8-3-4-9-6/h6,8-9H,2-5H2,1H3.
What are the key properties of ethyl piperazine-2-carboxylate?
ethyl piperazine-2-carboxylate has a molecular weight of 158.20 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl piperazine-2-carboxylate is sourced from PubChem (CID 10633257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).