1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium

C12H24N2+2 — CID 58152801

IUPAC1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium
SMILESC=CC[N+]1(C)CC[N+](C)(CC=C)CC1
InChIInChI=1S/C12H24N2/c1-5-7-13(3)9-11-14(4,8-6-2)12-10-13/h5-6H,1-2,7-12H2,3-4H3/q+2
InChIKeyQAUXSFBAGPZCLI-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.27
Rot. Bonds4

About 1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium

1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium (PubChem CID 58152801) has the molecular formula C12H24N2+2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium
PubChem CID58152801
Molecular FormulaC12H24N2+2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium
SMILESC=CC[N+]1(C)CC[N+](C)(CC=C)CC1
InChIInChI=1S/C12H24N2/c1-5-7-13(3)9-11-14(4,8-6-2)12-10-13/h5-6H,1-2,7-12H2,3-4H3/q+2
InChIKeyQAUXSFBAGPZCLI-UHFFFAOYSA-N
XLogP1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium?
The IUPAC name of 1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium (CID 58152801) is 1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium.
What is the SMILES notation for 1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium?
The canonical SMILES for 1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium is C=CC[N+]1(C)CC[N+](C)(CC=C)CC1.
What is the InChIKey of 1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium?
The InChIKey is QAUXSFBAGPZCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-7-13(3)9-11-14(4,8-6-2)12-10-13/h5-6H,1-2,7-12H2,3-4H3/q+2.
What are the key properties of 1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium?
1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium has a molecular weight of 196.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-1,4-bis(prop-2-enyl)piperazine-1,4-diium is sourced from PubChem (CID 58152801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).