1,4-dimethylpiperazine;iron(5+);pentacyanide

C11H14FeN7 — CID 88790382

IUPAC1,4-dimethylpiperazine;iron(5+);pentacyanide
SMILESCN1CCN(C)CC1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C6H14N2.5CN.Fe/c1-7-3-5-8(2)6-4-7;5*1-2;/h3-6H2,1-2H3;;;;;;/q;5*-1;+5
InChIKeyQXTHRAFTNFHBBM-UHFFFAOYSA-N
MW300.13 g/mol
LogP0.34
Rot. Bonds

About 1,4-dimethylpiperazine;iron(5+);pentacyanide

1,4-dimethylpiperazine;iron(5+);pentacyanide (PubChem CID 88790382) has the molecular formula C11H14FeN7 and a molecular weight of 300.13 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;iron(5+);pentacyanide.

Molecular Properties

Compound Name1,4-dimethylpiperazine;iron(5+);pentacyanide
PubChem CID88790382
Molecular FormulaC11H14FeN7
Molecular Weight300.13 g/mol
Exact Mass300.07
IUPAC Name1,4-dimethylpiperazine;iron(5+);pentacyanide
SMILESCN1CCN(C)CC1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5]
InChIInChI=1S/C6H14N2.5CN.Fe/c1-7-3-5-8(2)6-4-7;5*1-2;/h3-6H2,1-2H3;;;;;;/q;5*-1;+5
InChIKeyQXTHRAFTNFHBBM-UHFFFAOYSA-N
XLogP0.34
TPSA125.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;iron(5+);pentacyanide?
The IUPAC name of 1,4-dimethylpiperazine;iron(5+);pentacyanide (CID 88790382) is 1,4-dimethylpiperazine;iron(5+);pentacyanide.
What is the SMILES notation for 1,4-dimethylpiperazine;iron(5+);pentacyanide?
The canonical SMILES for 1,4-dimethylpiperazine;iron(5+);pentacyanide is CN1CCN(C)CC1.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+5].
What is the InChIKey of 1,4-dimethylpiperazine;iron(5+);pentacyanide?
The InChIKey is QXTHRAFTNFHBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.5CN.Fe/c1-7-3-5-8(2)6-4-7;5*1-2;/h3-6H2,1-2H3;;;;;;/q;5*-1;+5.
What are the key properties of 1,4-dimethylpiperazine;iron(5+);pentacyanide?
1,4-dimethylpiperazine;iron(5+);pentacyanide has a molecular weight of 300.13 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;iron(5+);pentacyanide is sourced from PubChem (CID 88790382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).