piperazine-1-carbaldehyde

C10H20N4O2 — CID 88632292

IUPACpiperazine-1-carbaldehyde
SMILESO=CN1CCNCC1.O=CN1CCNCC1
InChIInChI=1S/2C5H10N2O/c2*8-5-7-3-1-6-2-4-7/h2*5-6H,1-4H2
InChIKeyHKBXUULJLGMTLA-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.90
Rot. Bonds2

About piperazine-1-carbaldehyde

piperazine-1-carbaldehyde (PubChem CID 88632292) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is piperazine-1-carbaldehyde.

Molecular Properties

Compound Namepiperazine-1-carbaldehyde
PubChem CID88632292
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Namepiperazine-1-carbaldehyde
SMILESO=CN1CCNCC1.O=CN1CCNCC1
InChIInChI=1S/2C5H10N2O/c2*8-5-7-3-1-6-2-4-7/h2*5-6H,1-4H2
InChIKeyHKBXUULJLGMTLA-UHFFFAOYSA-N
XLogP-1.90
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperazine-1-carbaldehyde?
The IUPAC name of piperazine-1-carbaldehyde (CID 88632292) is piperazine-1-carbaldehyde.
What is the SMILES notation for piperazine-1-carbaldehyde?
The canonical SMILES for piperazine-1-carbaldehyde is O=CN1CCNCC1.O=CN1CCNCC1.
What is the InChIKey of piperazine-1-carbaldehyde?
The InChIKey is HKBXUULJLGMTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10N2O/c2*8-5-7-3-1-6-2-4-7/h2*5-6H,1-4H2.
What are the key properties of piperazine-1-carbaldehyde?
piperazine-1-carbaldehyde has a molecular weight of 228.30 g/mol, XLogP of -1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-carbaldehyde is sourced from PubChem (CID 88632292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).