1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium

C16H27N2+ — CID 19604703

IUPAC1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium
SMILESC=CCC1(CC=C)CNCC[N+]1(CC=C)CC=C
InChIInChI=1S/C16H27N2/c1-5-9-16(10-6-2)15-17-11-14-18(16,12-7-3)13-8-4/h5-8,17H,1-4,9-15H2/q+1
InChIKeyGQFPBLOMOOZVKV-UHFFFAOYSA-N
MW247.41 g/mol
LogP2.67
Rot. Bonds8

About 1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium

1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium (PubChem CID 19604703) has the molecular formula C16H27N2+ and a molecular weight of 247.41 g/mol. Its IUPAC name is 1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium.

Molecular Properties

Compound Name1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium
PubChem CID19604703
Molecular FormulaC16H27N2+
Molecular Weight247.41 g/mol
Exact Mass247.22
IUPAC Name1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium
SMILESC=CCC1(CC=C)CNCC[N+]1(CC=C)CC=C
InChIInChI=1S/C16H27N2/c1-5-9-16(10-6-2)15-17-11-14-18(16,12-7-3)13-8-4/h5-8,17H,1-4,9-15H2/q+1
InChIKeyGQFPBLOMOOZVKV-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium?
The IUPAC name of 1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium (CID 19604703) is 1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium.
What is the SMILES notation for 1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium?
The canonical SMILES for 1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium is C=CCC1(CC=C)CNCC[N+]1(CC=C)CC=C.
What is the InChIKey of 1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium?
The InChIKey is GQFPBLOMOOZVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N2/c1-5-9-16(10-6-2)15-17-11-14-18(16,12-7-3)13-8-4/h5-8,17H,1-4,9-15H2/q+1.
What are the key properties of 1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium?
1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium has a molecular weight of 247.41 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrakis(prop-2-enyl)piperazin-1-ium is sourced from PubChem (CID 19604703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).