4-(oxetan-3-yl)piperazin-1-amine

C7H15N3O — CID 123779615

IUPAC4-(oxetan-3-yl)piperazin-1-amine
SMILESNN1CCN(C2COC2)CC1
InChIInChI=1S/C7H15N3O/c8-10-3-1-9(2-4-10)7-5-11-6-7/h7H,1-6,8H2
InChIKeyOCXYBIKFUWJIDG-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.12
Rot. Bonds1

About 4-(oxetan-3-yl)piperazin-1-amine

4-(oxetan-3-yl)piperazin-1-amine (PubChem CID 123779615) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 4-(oxetan-3-yl)piperazin-1-amine.

Molecular Properties

Compound Name4-(oxetan-3-yl)piperazin-1-amine
PubChem CID123779615
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name4-(oxetan-3-yl)piperazin-1-amine
SMILESNN1CCN(C2COC2)CC1
InChIInChI=1S/C7H15N3O/c8-10-3-1-9(2-4-10)7-5-11-6-7/h7H,1-6,8H2
InChIKeyOCXYBIKFUWJIDG-UHFFFAOYSA-N
XLogP-1.12
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(oxetan-3-yl)piperazin-1-amine 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 4-(oxetan-3-yl)piperazin-1-amine?
The IUPAC name of 4-(oxetan-3-yl)piperazin-1-amine (CID 123779615) is 4-(oxetan-3-yl)piperazin-1-amine.
What is the SMILES notation for 4-(oxetan-3-yl)piperazin-1-amine?
The canonical SMILES for 4-(oxetan-3-yl)piperazin-1-amine is NN1CCN(C2COC2)CC1.
What is the InChIKey of 4-(oxetan-3-yl)piperazin-1-amine?
The InChIKey is OCXYBIKFUWJIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-10-3-1-9(2-4-10)7-5-11-6-7/h7H,1-6,8H2.
What are the key properties of 4-(oxetan-3-yl)piperazin-1-amine?
4-(oxetan-3-yl)piperazin-1-amine has a molecular weight of 157.22 g/mol, XLogP of -1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-yl)piperazin-1-amine is sourced from PubChem (CID 123779615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).