piperazin-1-ylmethanimine

C5H11N3 — CID 23435345

IUPACpiperazin-1-ylmethanimine
SMILES[H]/N=C/N1CCNCC1
InChIInChI=1S/C5H11N3/c6-5-8-3-1-7-2-4-8/h5-7H,1-4H2/b6-5+
InChIKeyBZGNKKZWBCFYBQ-AATRIKPKSA-N
MW113.16 g/mol
LogP-0.50
Rot. Bonds1

About piperazin-1-ylmethanimine

piperazin-1-ylmethanimine (PubChem CID 23435345) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is piperazin-1-ylmethanimine.

Molecular Properties

Compound Namepiperazin-1-ylmethanimine
PubChem CID23435345
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Namepiperazin-1-ylmethanimine
SMILES[H]/N=C/N1CCNCC1
InChIInChI=1S/C5H11N3/c6-5-8-3-1-7-2-4-8/h5-7H,1-4H2/b6-5+
InChIKeyBZGNKKZWBCFYBQ-AATRIKPKSA-N
XLogP-0.50
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze piperazin-1-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperazin-1-ylmethanimine?
The IUPAC name of piperazin-1-ylmethanimine (CID 23435345) is piperazin-1-ylmethanimine.
What is the SMILES notation for piperazin-1-ylmethanimine?
The canonical SMILES for piperazin-1-ylmethanimine is [H]/N=C/N1CCNCC1.
What is the InChIKey of piperazin-1-ylmethanimine?
The InChIKey is BZGNKKZWBCFYBQ-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11N3/c6-5-8-3-1-7-2-4-8/h5-7H,1-4H2/b6-5+.
What are the key properties of piperazin-1-ylmethanimine?
piperazin-1-ylmethanimine has a molecular weight of 113.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-ylmethanimine is sourced from PubChem (CID 23435345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).