2-piperazin-1-ylacetaldehyde

C6H12N2O — CID 12049532

IUPAC2-piperazin-1-ylacetaldehyde
SMILESO=CCN1CCNCC1
InChIInChI=1S/C6H12N2O/c9-6-5-8-3-1-7-2-4-8/h6-7H,1-5H2
InChIKeyGVFJYCZQRILOMX-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.91
Rot. Bonds2

About 2-piperazin-1-ylacetaldehyde

2-piperazin-1-ylacetaldehyde (PubChem CID 12049532) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 2-piperazin-1-ylacetaldehyde.

Molecular Properties

Compound Name2-piperazin-1-ylacetaldehyde
PubChem CID12049532
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name2-piperazin-1-ylacetaldehyde
SMILESO=CCN1CCNCC1
InChIInChI=1S/C6H12N2O/c9-6-5-8-3-1-7-2-4-8/h6-7H,1-5H2
InChIKeyGVFJYCZQRILOMX-UHFFFAOYSA-N
XLogP-0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylacetaldehyde?
The IUPAC name of 2-piperazin-1-ylacetaldehyde (CID 12049532) is 2-piperazin-1-ylacetaldehyde.
What is the SMILES notation for 2-piperazin-1-ylacetaldehyde?
The canonical SMILES for 2-piperazin-1-ylacetaldehyde is O=CCN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylacetaldehyde?
The InChIKey is GVFJYCZQRILOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c9-6-5-8-3-1-7-2-4-8/h6-7H,1-5H2.
What are the key properties of 2-piperazin-1-ylacetaldehyde?
2-piperazin-1-ylacetaldehyde has a molecular weight of 128.18 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylacetaldehyde is sourced from PubChem (CID 12049532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).