4-(2-ethoxyethyl)piperazin-1-amine

C8H19N3O — CID 58861615

IUPAC4-(2-ethoxyethyl)piperazin-1-amine
SMILESCCOCCN1CCN(N)CC1
InChIInChI=1S/C8H19N3O/c1-2-12-8-7-10-3-5-11(9)6-4-10/h2-9H2,1H3
InChIKeyDXVZMVOMVHKYIC-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.49
Rot. Bonds4

About 4-(2-ethoxyethyl)piperazin-1-amine

4-(2-ethoxyethyl)piperazin-1-amine (PubChem CID 58861615) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)piperazin-1-amine.

Molecular Properties

Compound Name4-(2-ethoxyethyl)piperazin-1-amine
PubChem CID58861615
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name4-(2-ethoxyethyl)piperazin-1-amine
SMILESCCOCCN1CCN(N)CC1
InChIInChI=1S/C8H19N3O/c1-2-12-8-7-10-3-5-11(9)6-4-10/h2-9H2,1H3
InChIKeyDXVZMVOMVHKYIC-UHFFFAOYSA-N
XLogP-0.49
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-ethoxyethyl)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-(2-ethoxyethyl)piperazin-1-amine?
The IUPAC name of 4-(2-ethoxyethyl)piperazin-1-amine (CID 58861615) is 4-(2-ethoxyethyl)piperazin-1-amine.
What is the SMILES notation for 4-(2-ethoxyethyl)piperazin-1-amine?
The canonical SMILES for 4-(2-ethoxyethyl)piperazin-1-amine is CCOCCN1CCN(N)CC1.
What is the InChIKey of 4-(2-ethoxyethyl)piperazin-1-amine?
The InChIKey is DXVZMVOMVHKYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-2-12-8-7-10-3-5-11(9)6-4-10/h2-9H2,1H3.
What are the key properties of 4-(2-ethoxyethyl)piperazin-1-amine?
4-(2-ethoxyethyl)piperazin-1-amine has a molecular weight of 173.26 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)piperazin-1-amine is sourced from PubChem (CID 58861615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).