ethyl 2-piperazin-2-ylacetate

C8H16N2O2 — CID 10749720

IUPACethyl 2-piperazin-2-ylacetate
SMILESCCOC(=O)CC1CNCCN1
InChIInChI=1S/C8H16N2O2/c1-2-12-8(11)5-7-6-9-3-4-10-7/h7,9-10H,2-6H2,1H3
InChIKeyLPCVZQJECZADQY-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.50
Rot. Bonds3

About ethyl 2-piperazin-2-ylacetate

ethyl 2-piperazin-2-ylacetate (PubChem CID 10749720) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl 2-piperazin-2-ylacetate.

Molecular Properties

Compound Nameethyl 2-piperazin-2-ylacetate
PubChem CID10749720
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl 2-piperazin-2-ylacetate
SMILESCCOC(=O)CC1CNCCN1
InChIInChI=1S/C8H16N2O2/c1-2-12-8(11)5-7-6-9-3-4-10-7/h7,9-10H,2-6H2,1H3
InChIKeyLPCVZQJECZADQY-UHFFFAOYSA-N
XLogP-0.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperazin-2-ylacetate?
The IUPAC name of ethyl 2-piperazin-2-ylacetate (CID 10749720) is ethyl 2-piperazin-2-ylacetate.
What is the SMILES notation for ethyl 2-piperazin-2-ylacetate?
The canonical SMILES for ethyl 2-piperazin-2-ylacetate is CCOC(=O)CC1CNCCN1.
What is the InChIKey of ethyl 2-piperazin-2-ylacetate?
The InChIKey is LPCVZQJECZADQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-12-8(11)5-7-6-9-3-4-10-7/h7,9-10H,2-6H2,1H3.
What are the key properties of ethyl 2-piperazin-2-ylacetate?
ethyl 2-piperazin-2-ylacetate has a molecular weight of 172.23 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperazin-2-ylacetate is sourced from PubChem (CID 10749720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).