chempirical

1,4-Piperazinedicarboxaldehyde

C6H10N2O2CAS 4164-39-0142.16 g/mol

Open in Covalent MOL file
ONNO
Amide

Properties

Molecular formula
C6H10N2O2
Molar mass
142.16 g/mol
Exact mass
142.0742 Da
Melting point
128–129 °C
Boiling point
167–170 °C (at 1 Torr)
logP
-1.08Crippen estimate
Polar surface area
40.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 108 ECHA notifiers. Aggregated from 108 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
4164-39-0
SMILES
O=CN1CCN(C=O)CC1
InChIKey
CBLGQEBXWDKYDI-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N2O2/c9-5-7-1-2-8(6-10)4-3-7/h5-6H,1-4H2

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Names and synonyms

3 names
  • N,N′-Diformylpiperazine
  • 1,4-Diformylpiperazine
  • NSC 506922

Work with 1,4-Piperazinedicarboxaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Pyrrolidinecarboxaldehyde3760-54-173 % similar N-Formylpiperidine2591-86-869 % similar N-Formylmorpholine4394-85-861 % similar 1-Piperazinecarboxaldehyde7755-92-261 % similar N,N-Dibutylformamide761-65-955 % similar 1-Formylhomopiperazine29053-62-150 % similar Diethylformamide617-84-550 % similar 1-Formylisonipecotic acid84163-42-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Ethyl-5-methylhydantoin16820-12-5 5-Isopropylhydantoin16935-34-5 tert-Butyl diazoacetate35059-50-8 Nioxime492-99-9 Sarcosine anhydride5076-82-4 1-Ethyl-2,3-piperazinedione59702-31-7 1,5,5-Trimethyl-2,4-imidazolidinedione6851-81-6 Piracetam7491-74-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook