Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID012392

Phytochemical name: 1-Formylpiperazine

Synonymous chemical names:
1-piperazinecarboxaldehyde

External chemical identifiers:
CID:CID_82191, ChEBI:CHEBI:151031, ZINC:ZINC000000155418, SureChEMBL:SCHEMBL8467, MolPort-001-768-828

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Chemical structure information

SMILES:
O=CN1CCNCC1

InChI:
InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2

InChIKey:
MSSDTZLYNMFTKN-UHFFFAOYSA-N

DeepSMILES:
O=CNCCNCC6

Functional groups:
CN(C=O)C, CNC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CNCCN1

Scaffold Graph/Node level:
C1CNCCN1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazinanes

ClassyFire Subclass: Piperazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP-Likeness score: -0.237

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Chemical structure download