2-(prop-2-enoxymethyl)piperazine

C8H16N2O — CID 58625987

IUPAC2-(prop-2-enoxymethyl)piperazine
SMILESC=CCOCC1CNCCN1
InChIInChI=1S/C8H16N2O/c1-2-5-11-7-8-6-9-3-4-10-8/h2,8-10H,1,3-7H2
InChIKeyVCDNBWCNGXQRIY-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.25
Rot. Bonds4

About 2-(prop-2-enoxymethyl)piperazine

2-(prop-2-enoxymethyl)piperazine (PubChem CID 58625987) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)piperazine.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)piperazine
PubChem CID58625987
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(prop-2-enoxymethyl)piperazine
SMILESC=CCOCC1CNCCN1
InChIInChI=1S/C8H16N2O/c1-2-5-11-7-8-6-9-3-4-10-8/h2,8-10H,1,3-7H2
InChIKeyVCDNBWCNGXQRIY-UHFFFAOYSA-N
XLogP-0.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(prop-2-enoxymethyl)piperazine 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 2-(prop-2-enoxymethyl)piperazine?
The IUPAC name of 2-(prop-2-enoxymethyl)piperazine (CID 58625987) is 2-(prop-2-enoxymethyl)piperazine.
What is the SMILES notation for 2-(prop-2-enoxymethyl)piperazine?
The canonical SMILES for 2-(prop-2-enoxymethyl)piperazine is C=CCOCC1CNCCN1.
What is the InChIKey of 2-(prop-2-enoxymethyl)piperazine?
The InChIKey is VCDNBWCNGXQRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-5-11-7-8-6-9-3-4-10-8/h2,8-10H,1,3-7H2.
What are the key properties of 2-(prop-2-enoxymethyl)piperazine?
2-(prop-2-enoxymethyl)piperazine has a molecular weight of 156.23 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)piperazine is sourced from PubChem (CID 58625987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).