piperazine-1,2-dicarbaldehyde

C6H10N2O2 — CID 19016607

IUPACpiperazine-1,2-dicarbaldehyde
SMILESO=CC1CNCCN1C=O
InChIInChI=1S/C6H10N2O2/c9-4-6-3-7-1-2-8(6)5-10/h4-7H,1-3H2
InChIKeyHIRJFVFSDAJYNR-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.38
Rot. Bonds2

About piperazine-1,2-dicarbaldehyde

piperazine-1,2-dicarbaldehyde (PubChem CID 19016607) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is piperazine-1,2-dicarbaldehyde.

Molecular Properties

Compound Namepiperazine-1,2-dicarbaldehyde
PubChem CID19016607
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Namepiperazine-1,2-dicarbaldehyde
SMILESO=CC1CNCCN1C=O
InChIInChI=1S/C6H10N2O2/c9-4-6-3-7-1-2-8(6)5-10/h4-7H,1-3H2
InChIKeyHIRJFVFSDAJYNR-UHFFFAOYSA-N
XLogP-1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.38
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 piperazine-1,2-dicarbaldehyde?
The IUPAC name of piperazine-1,2-dicarbaldehyde (CID 19016607) is piperazine-1,2-dicarbaldehyde.
What is the SMILES notation for piperazine-1,2-dicarbaldehyde?
The canonical SMILES for piperazine-1,2-dicarbaldehyde is O=CC1CNCCN1C=O.
What is the InChIKey of piperazine-1,2-dicarbaldehyde?
The InChIKey is HIRJFVFSDAJYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c9-4-6-3-7-1-2-8(6)5-10/h4-7H,1-3H2.
What are the key properties of piperazine-1,2-dicarbaldehyde?
piperazine-1,2-dicarbaldehyde has a molecular weight of 142.16 g/mol, XLogP of -1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1,2-dicarbaldehyde is sourced from PubChem (CID 19016607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).