1,4-dimethylidenepiperazine-1,4-diium

C6H12N2+2 — CID 89374723

IUPAC1,4-dimethylidenepiperazine-1,4-diium
SMILESC=[N+]1CC[N+](=C)CC1
InChIInChI=1S/C6H12N2/c1-7-3-5-8(2)6-4-7/h1-6H2/q+2
InChIKeyQKJONIBYAWCPCD-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.57
Rot. Bonds

About 1,4-dimethylidenepiperazine-1,4-diium

1,4-dimethylidenepiperazine-1,4-diium (PubChem CID 89374723) has the molecular formula C6H12N2+2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1,4-dimethylidenepiperazine-1,4-diium.

Molecular Properties

Compound Name1,4-dimethylidenepiperazine-1,4-diium
PubChem CID89374723
Molecular FormulaC6H12N2+2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1,4-dimethylidenepiperazine-1,4-diium
SMILESC=[N+]1CC[N+](=C)CC1
InChIInChI=1S/C6H12N2/c1-7-3-5-8(2)6-4-7/h1-6H2/q+2
InChIKeyQKJONIBYAWCPCD-UHFFFAOYSA-N
XLogP-0.57
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylidenepiperazine-1,4-diium?
The IUPAC name of 1,4-dimethylidenepiperazine-1,4-diium (CID 89374723) is 1,4-dimethylidenepiperazine-1,4-diium.
What is the SMILES notation for 1,4-dimethylidenepiperazine-1,4-diium?
The canonical SMILES for 1,4-dimethylidenepiperazine-1,4-diium is C=[N+]1CC[N+](=C)CC1.
What is the InChIKey of 1,4-dimethylidenepiperazine-1,4-diium?
The InChIKey is QKJONIBYAWCPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-7-3-5-8(2)6-4-7/h1-6H2/q+2.
What are the key properties of 1,4-dimethylidenepiperazine-1,4-diium?
1,4-dimethylidenepiperazine-1,4-diium has a molecular weight of 112.18 g/mol, XLogP of -0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylidenepiperazine-1,4-diium is sourced from PubChem (CID 89374723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).