acetaldehyde;piperazine

C6H14N2O — CID 142151556

IUPACacetaldehyde;piperazine
SMILESC1CNCCN1.CC=O
InChIInChI=1S/C4H10N2.C2H4O/c1-2-6-4-3-5-1;1-2-3/h5-6H,1-4H2;2H,1H3
InChIKeyOAGGIDQHCHFHCV-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.62
Rot. Bonds

About acetaldehyde;piperazine

acetaldehyde;piperazine (PubChem CID 142151556) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is acetaldehyde;piperazine.

Molecular Properties

Compound Nameacetaldehyde;piperazine
PubChem CID142151556
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Nameacetaldehyde;piperazine
SMILESC1CNCCN1.CC=O
InChIInChI=1S/C4H10N2.C2H4O/c1-2-6-4-3-5-1;1-2-3/h5-6H,1-4H2;2H,1H3
InChIKeyOAGGIDQHCHFHCV-UHFFFAOYSA-N
XLogP-0.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
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 acetaldehyde;piperazine?
The IUPAC name of acetaldehyde;piperazine (CID 142151556) is acetaldehyde;piperazine.
What is the SMILES notation for acetaldehyde;piperazine?
The canonical SMILES for acetaldehyde;piperazine is C1CNCCN1.CC=O.
What is the InChIKey of acetaldehyde;piperazine?
The InChIKey is OAGGIDQHCHFHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2H4O/c1-2-6-4-3-5-1;1-2-3/h5-6H,1-4H2;2H,1H3.
What are the key properties of acetaldehyde;piperazine?
acetaldehyde;piperazine has a molecular weight of 130.19 g/mol, XLogP of -0.62, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;piperazine is sourced from PubChem (CID 142151556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).