1-Piperazinecarboxaldehyde
PubChem CID: 82191
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| Compound Synonyms | 1-Formylpiperazine, 7755-92-2, 1-Piperazinecarboxaldehyde, Piperazine-1-carbaldehyde, 1-Piperazinecarbaldehyde, Formylpiperazine, N-Formylpiperazine, Piperazine-1-carboxaldehyde, 1-formyl piperazine, EINECS 231-813-0, MFCD00005963, NSC 511082, DTXSID1064790, 1-Formylpiperazine (>85%), l-formylpiperazine, 4-formylpiperazine, N-formyl piperazine, N-formyl-piperazine, 4-formyl-piperazine, 1-Formyl-piperazine, NSC511082, piperazinecarboxaldehyde, piperazin-1-yl-methanone, 1-Piperazinecarbaldehyde #, SCHEMBL8467, DTXCID8047977, CHEBI:151031, STK802250, AKOS001146173, CS-W016606, NSC-511082, AS-15753, 1-Formylpiperazine, technical grade, 85%, DB-019187, F0194, NS00037928, 1-Formylpiperazine, technical, >=90% (GC), EN300-20598, Q27452019, F2190-0515, Z104479110, 1FP |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | O=CNCCNCC6 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Diazinanes |
| Scaffold Graph Node Level | C1CNCCN1 |
| Classyfire Subclass | Piperazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.5 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | piperazine-1-carbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10N2O |
| Scaffold Graph Node Bond Level | C1CNCCN1 |
| Inchi Key | MSSDTZLYNMFTKN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-piperazinecarboxaldehyde |
| Esol Class | Highly soluble |
| Functional Groups | CN(C)C=O, CNC |
| Compound Name | 1-Piperazinecarboxaldehyde |
| Exact Mass | 114.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.079 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 114.15 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2 |
| Smiles | C1CN(CCN1)C=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
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