N-ethenyl-1-piperazin-1-ylmethanimine

C7H13N3 — CID 129172082

IUPACN-ethenyl-1-piperazin-1-ylmethanimine
SMILESC=C/N=C/N1CCNCC1
InChIInChI=1S/C7H13N3/c1-2-8-7-10-5-3-9-4-6-10/h2,7,9H,1,3-6H2/b8-7+
InChIKeyWBZMGVSWCASIPO-BQYQJAHWSA-N
MW139.20 g/mol
LogP0.06
Rot. Bonds2

About N-ethenyl-1-piperazin-1-ylmethanimine

N-ethenyl-1-piperazin-1-ylmethanimine (PubChem CID 129172082) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-ethenyl-1-piperazin-1-ylmethanimine.

Molecular Properties

Compound NameN-ethenyl-1-piperazin-1-ylmethanimine
PubChem CID129172082
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-ethenyl-1-piperazin-1-ylmethanimine
SMILESC=C/N=C/N1CCNCC1
InChIInChI=1S/C7H13N3/c1-2-8-7-10-5-3-9-4-6-10/h2,7,9H,1,3-6H2/b8-7+
InChIKeyWBZMGVSWCASIPO-BQYQJAHWSA-N
XLogP0.06
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-piperazin-1-ylmethanimine?
The IUPAC name of N-ethenyl-1-piperazin-1-ylmethanimine (CID 129172082) is N-ethenyl-1-piperazin-1-ylmethanimine.
What is the SMILES notation for N-ethenyl-1-piperazin-1-ylmethanimine?
The canonical SMILES for N-ethenyl-1-piperazin-1-ylmethanimine is C=C/N=C/N1CCNCC1.
What is the InChIKey of N-ethenyl-1-piperazin-1-ylmethanimine?
The InChIKey is WBZMGVSWCASIPO-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-8-7-10-5-3-9-4-6-10/h2,7,9H,1,3-6H2/b8-7+.
What are the key properties of N-ethenyl-1-piperazin-1-ylmethanimine?
N-ethenyl-1-piperazin-1-ylmethanimine has a molecular weight of 139.20 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-piperazin-1-ylmethanimine is sourced from PubChem (CID 129172082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).