2,6-dimethylpiperazine;iodomethane

C7H17IN2 — CID 177002631

IUPAC2,6-dimethylpiperazine;iodomethane
SMILESCC1CNCC(C)N1.CI
InChIInChI=1S/C6H14N2.CH3I/c1-5-3-7-4-6(2)8-5;1-2/h5-8H,3-4H2,1-2H3;1H3
InChIKeyFXAQBSRSLMNFOJ-UHFFFAOYSA-N
MW256.13 g/mol
LogP1.01
Rot. Bonds

About 2,6-dimethylpiperazine;iodomethane

2,6-dimethylpiperazine;iodomethane (PubChem CID 177002631) has the molecular formula C7H17IN2 and a molecular weight of 256.13 g/mol. Its IUPAC name is 2,6-dimethylpiperazine;iodomethane.

Molecular Properties

Compound Name2,6-dimethylpiperazine;iodomethane
PubChem CID177002631
Molecular FormulaC7H17IN2
Molecular Weight256.13 g/mol
Exact Mass256.04
IUPAC Name2,6-dimethylpiperazine;iodomethane
SMILESCC1CNCC(C)N1.CI
InChIInChI=1S/C6H14N2.CH3I/c1-5-3-7-4-6(2)8-5;1-2/h5-8H,3-4H2,1-2H3;1H3
InChIKeyFXAQBSRSLMNFOJ-UHFFFAOYSA-N
XLogP1.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dimethylpiperazine;iodomethane 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 2,6-dimethylpiperazine;iodomethane?
The IUPAC name of 2,6-dimethylpiperazine;iodomethane (CID 177002631) is 2,6-dimethylpiperazine;iodomethane.
What is the SMILES notation for 2,6-dimethylpiperazine;iodomethane?
The canonical SMILES for 2,6-dimethylpiperazine;iodomethane is CC1CNCC(C)N1.CI.
What is the InChIKey of 2,6-dimethylpiperazine;iodomethane?
The InChIKey is FXAQBSRSLMNFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.CH3I/c1-5-3-7-4-6(2)8-5;1-2/h5-8H,3-4H2,1-2H3;1H3.
What are the key properties of 2,6-dimethylpiperazine;iodomethane?
2,6-dimethylpiperazine;iodomethane has a molecular weight of 256.13 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpiperazine;iodomethane is sourced from PubChem (CID 177002631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).