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

C18H32N2+2 — CID 5149923

IUPAC1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium
SMILESC=CC[N+]1(CC=CC)CC[N+](CC=C)(CC=CC)CC1
InChIInChI=1S/C18H32N2/c1-5-9-13-19(11-7-3)15-17-20(12-8-4,18-16-19)14-10-6-2/h5-10H,3-4,11-18H2,1-2H3/q+2
InChIKeyNQVNNVPRLQBYOC-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.16
Rot. Bonds8

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

1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium (PubChem CID 5149923) has the molecular formula C18H32N2+2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium
PubChem CID5149923
Molecular FormulaC18H32N2+2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium
SMILESC=CC[N+]1(CC=CC)CC[N+](CC=C)(CC=CC)CC1
InChIInChI=1S/C18H32N2/c1-5-9-13-19(11-7-3)15-17-20(12-8-4,18-16-19)14-10-6-2/h5-10H,3-4,11-18H2,1-2H3/q+2
InChIKeyNQVNNVPRLQBYOC-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.16
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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Related Compounds

1-ethyl-1-prop-2-enylpiperidin-1-ium
CID 14615527
1-prop-2-enyl-1-propylpiperidin-1-ium
CID 68590517
hexa-1,4-diene
CID 163631115
1,1-bis(prop-2-enyl)imidazolidin-1-ium
CID 69185533
but-1-ene;(Z)-pent-2-ene
CID 156866422
hexa-1,4-diene;hydrate
CID 162019515
CID 156717927
CID 156717927
1-ethyl-4-ethylsulfonyl-1-prop-2-enylpiperazin-1-ium
CID 59362006
1-ethenoxybut-2-ene
CID 54206132
ethane;(5Z)-hepta-1,5-diene;hydrochloride
CID 143911102
4-methyl-4-prop-2-enylmorpholin-4-ium bromide
CID 18617910
5-methylnona-1,4,7-triene
CID 59970949

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium?
The IUPAC name of 1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium (CID 5149923) is 1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium.
What is the SMILES notation for 1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium?
The canonical SMILES for 1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium is C=CC[N+]1(CC=CC)CC[N+](CC=C)(CC=CC)CC1.
What is the InChIKey of 1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium?
The InChIKey is NQVNNVPRLQBYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-9-13-19(11-7-3)15-17-20(12-8-4,18-16-19)14-10-6-2/h5-10H,3-4,11-18H2,1-2H3/q+2.
What are the key properties of 1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium?
1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium has a molecular weight of 276.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(but-2-enyl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium is sourced from PubChem (CID 5149923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).