2-piperazin-1-ylacetyl iodide

C6H11IN2O — CID 153235141

IUPAC2-piperazin-1-ylacetyl iodide
SMILESO=C(I)CN1CCNCC1
InChIInChI=1S/C6H11IN2O/c7-6(10)5-9-3-1-8-2-4-9/h8H,1-5H2
InChIKeyWQIKBBAZGQMVDD-UHFFFAOYSA-N
MW254.07 g/mol
LogP-0.15
Rot. Bonds2

About 2-piperazin-1-ylacetyl iodide

2-piperazin-1-ylacetyl iodide (PubChem CID 153235141) has the molecular formula C6H11IN2O and a molecular weight of 254.07 g/mol. Its IUPAC name is 2-piperazin-1-ylacetyl iodide.

Molecular Properties

Compound Name2-piperazin-1-ylacetyl iodide
PubChem CID153235141
Molecular FormulaC6H11IN2O
Molecular Weight254.07 g/mol
Exact Mass253.99
IUPAC Name2-piperazin-1-ylacetyl iodide
SMILESO=C(I)CN1CCNCC1
InChIInChI=1S/C6H11IN2O/c7-6(10)5-9-3-1-8-2-4-9/h8H,1-5H2
InChIKeyWQIKBBAZGQMVDD-UHFFFAOYSA-N
XLogP-0.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-piperazin-1-ylacetyl iodide 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

cesium 2-piperazin-1-ylacetate
CID 143618324
N-iodo-2-piperazin-1-ylacetamide
CID 171526171
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
CID 140659696
CID 140659696
ethane;2-piperazin-1-ylacetic acid
CID 143723779
trisodium;2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 174236195
1-piperazin-1-ylbutan-2-one;hydrochloride
CID 69258100
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylacetyl iodide?
The IUPAC name of 2-piperazin-1-ylacetyl iodide (CID 153235141) is 2-piperazin-1-ylacetyl iodide.
What is the SMILES notation for 2-piperazin-1-ylacetyl iodide?
The canonical SMILES for 2-piperazin-1-ylacetyl iodide is O=C(I)CN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylacetyl iodide?
The InChIKey is WQIKBBAZGQMVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IN2O/c7-6(10)5-9-3-1-8-2-4-9/h8H,1-5H2.
What are the key properties of 2-piperazin-1-ylacetyl iodide?
2-piperazin-1-ylacetyl iodide has a molecular weight of 254.07 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylacetyl iodide is sourced from PubChem (CID 153235141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).