molecular iodine;2-piperazin-1-ylacetaldehyde

C6H12I2N2O — CID 159058058

IUPACmolecular iodine;2-piperazin-1-ylacetaldehyde
SMILESII.O=CCN1CCNCC1
InChIInChI=1S/C6H12N2O.I2/c9-6-5-8-3-1-7-2-4-8;1-2/h6-7H,1-5H2;
InChIKeyJYCMBVKRUKUHIH-UHFFFAOYSA-N
MW381.98 g/mol
LogP0.86
Rot. Bonds2

About molecular iodine;2-piperazin-1-ylacetaldehyde

molecular iodine;2-piperazin-1-ylacetaldehyde (PubChem CID 159058058) has the molecular formula C6H12I2N2O and a molecular weight of 381.98 g/mol. Its IUPAC name is molecular iodine;2-piperazin-1-ylacetaldehyde.

Molecular Properties

Compound Namemolecular iodine;2-piperazin-1-ylacetaldehyde
PubChem CID159058058
Molecular FormulaC6H12I2N2O
Molecular Weight381.98 g/mol
Exact Mass381.90
IUPAC Namemolecular iodine;2-piperazin-1-ylacetaldehyde
SMILESII.O=CCN1CCNCC1
InChIInChI=1S/C6H12N2O.I2/c9-6-5-8-3-1-7-2-4-8;1-2/h6-7H,1-5H2;
InChIKeyJYCMBVKRUKUHIH-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.98
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperazin-1-ylacetaldehyde;hydrochloride
CID 129057449
2-[4,7-bis(2-oxoethyl)-1,4,7-triazonan-1-yl]acetaldehyde
CID 20775518
(E)-5-piperazin-1-ylpent-3-enal
CID 115013452
2-(1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl)acetaldehyde
CID 165084885
N-tert-butyl-2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 155476712
3-imidazolidin-1-ylpropanal
CID 56999085
1-penta-2,4-dienylpiperazine
CID 54045555
3-[4-(2-oxoethyl)piperazin-1-yl]propanal
CID 171115042
2-piperazin-1-ylacetyl iodide
CID 153235141
2-ethyl-4-piperazin-1-ylbut-2-enoic acid
CID 77102205
1-[(Z)-3-methoxybut-2-enyl]piperazine
CID 166729699
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585

Frequently Asked Questions

What is the IUPAC name of molecular iodine;2-piperazin-1-ylacetaldehyde?
The IUPAC name of molecular iodine;2-piperazin-1-ylacetaldehyde (CID 159058058) is molecular iodine;2-piperazin-1-ylacetaldehyde.
What is the SMILES notation for molecular iodine;2-piperazin-1-ylacetaldehyde?
The canonical SMILES for molecular iodine;2-piperazin-1-ylacetaldehyde is II.O=CCN1CCNCC1.
What is the InChIKey of molecular iodine;2-piperazin-1-ylacetaldehyde?
The InChIKey is JYCMBVKRUKUHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.I2/c9-6-5-8-3-1-7-2-4-8;1-2/h6-7H,1-5H2;.
What are the key properties of molecular iodine;2-piperazin-1-ylacetaldehyde?
molecular iodine;2-piperazin-1-ylacetaldehyde has a molecular weight of 381.98 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;2-piperazin-1-ylacetaldehyde is sourced from PubChem (CID 159058058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).