cesium 2-piperazin-1-ylacetate

C6H11CsN2O2 — CID 143618324

IUPACcesium 2-piperazin-1-ylacetate
SMILESO=C([O-])CN1CCNCC1.[Cs+]
InChIInChI=1S/C6H12N2O2.Cs/c9-6(10)5-8-3-1-7-2-4-8;/h7H,1-5H2,(H,9,10);/q;+1/p-1
InChIKeyIFDFZMWNAPJRMO-UHFFFAOYSA-M
MW276.07 g/mol
LogP-5.35
Rot. Bonds2

About cesium 2-piperazin-1-ylacetate

cesium 2-piperazin-1-ylacetate (PubChem CID 143618324) has the molecular formula C6H11CsN2O2 and a molecular weight of 276.07 g/mol. Its IUPAC name is cesium 2-piperazin-1-ylacetate.

Molecular Properties

Compound Namecesium 2-piperazin-1-ylacetate
PubChem CID143618324
Molecular FormulaC6H11CsN2O2
Molecular Weight276.07 g/mol
Exact Mass275.99
IUPAC Namecesium 2-piperazin-1-ylacetate
SMILESO=C([O-])CN1CCNCC1.[Cs+]
InChIInChI=1S/C6H12N2O2.Cs/c9-6(10)5-8-3-1-7-2-4-8;/h7H,1-5H2,(H,9,10);/q;+1/p-1
InChIKeyIFDFZMWNAPJRMO-UHFFFAOYSA-M
XLogP-5.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 5-5.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cesium 2-piperazin-1-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperazin-1-yl-acetic acid
CID 650402
2-(1-Piperazinyl)acetic acid monohydrate
CID 2760429
(3-Oxo-1-piperazinyl)acetic acid
CID 4715305
Methyl 2-(piperazin-1-yl)acetate hydrochloride
CID 17559628
2-(Piperazin-1-yl)acetic acid hydrochloride
CID 67009840
Ethylenediaminediacetate(1-)
CID 51589943
Ethylenediamine-n,n'-diacetate
CID 6994244
Methyl 2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}acetate
CID 82889193
Ethylenediaminetriacetate
CID 122706523
Ethylenediaminetriacetate(2-)
CID 119058216
2-((2-Ammonioethyl)ammonio)acetate iodide
CID 139060966
2-Oxo-1-piperazineacetic acid
CID 23422809

Frequently Asked Questions

What is the IUPAC name of cesium 2-piperazin-1-ylacetate?
The IUPAC name of cesium 2-piperazin-1-ylacetate (CID 143618324) is cesium 2-piperazin-1-ylacetate.
What is the SMILES notation for cesium 2-piperazin-1-ylacetate?
The canonical SMILES for cesium 2-piperazin-1-ylacetate is O=C([O-])CN1CCNCC1.[Cs+].
What is the InChIKey of cesium 2-piperazin-1-ylacetate?
The InChIKey is IFDFZMWNAPJRMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N2O2.Cs/c9-6(10)5-8-3-1-7-2-4-8;/h7H,1-5H2,(H,9,10);/q;+1/p-1.
What are the key properties of cesium 2-piperazin-1-ylacetate?
cesium 2-piperazin-1-ylacetate has a molecular weight of 276.07 g/mol, XLogP of -5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2-piperazin-1-ylacetate is sourced from PubChem (CID 143618324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).