4-methylpiperazine-1-carboselenoaldehyde

C6H12N2Se — CID 10583858

IUPAC4-methylpiperazine-1-carboselenoaldehyde
SMILESCN1CCN(C=[Se])CC1
InChIInChI=1S/C6H12N2Se/c1-7-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3
InChIKeyPFFIHIGVOMZLHK-UHFFFAOYSA-N
MW191.14 g/mol
LogP-0.84
Rot. Bonds1

About 4-methylpiperazine-1-carboselenoaldehyde

4-methylpiperazine-1-carboselenoaldehyde (PubChem CID 10583858) has the molecular formula C6H12N2Se and a molecular weight of 191.14 g/mol. Its IUPAC name is 4-methylpiperazine-1-carboselenoaldehyde.

Molecular Properties

Compound Name4-methylpiperazine-1-carboselenoaldehyde
PubChem CID10583858
Molecular FormulaC6H12N2Se
Molecular Weight191.14 g/mol
Exact Mass192.02
IUPAC Name4-methylpiperazine-1-carboselenoaldehyde
SMILESCN1CCN(C=[Se])CC1
InChIInChI=1S/C6H12N2Se/c1-7-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3
InChIKeyPFFIHIGVOMZLHK-UHFFFAOYSA-N
XLogP-0.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methylpiperazine-1-carboselenoaldehyde 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-methylpiperazine-1-carboselenoaldehyde?
The IUPAC name of 4-methylpiperazine-1-carboselenoaldehyde (CID 10583858) is 4-methylpiperazine-1-carboselenoaldehyde.
What is the SMILES notation for 4-methylpiperazine-1-carboselenoaldehyde?
The canonical SMILES for 4-methylpiperazine-1-carboselenoaldehyde is CN1CCN(C=[Se])CC1.
What is the InChIKey of 4-methylpiperazine-1-carboselenoaldehyde?
The InChIKey is PFFIHIGVOMZLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2Se/c1-7-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3.
What are the key properties of 4-methylpiperazine-1-carboselenoaldehyde?
4-methylpiperazine-1-carboselenoaldehyde has a molecular weight of 191.14 g/mol, XLogP of -0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazine-1-carboselenoaldehyde is sourced from PubChem (CID 10583858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).