1-(3-fluorobuta-1,3-dien-2-yl)piperazine

C8H13FN2 — CID 123812074

IUPAC1-(3-fluorobuta-1,3-dien-2-yl)piperazine
SMILESC=C(F)C(=C)N1CCNCC1
InChIInChI=1S/C8H13FN2/c1-7(9)8(2)11-5-3-10-4-6-11/h10H,1-6H2
InChIKeyVGVJCUIZFMBXSX-UHFFFAOYSA-N
MW156.20 g/mol
LogP0.89
Rot. Bonds2

About 1-(3-fluorobuta-1,3-dien-2-yl)piperazine

1-(3-fluorobuta-1,3-dien-2-yl)piperazine (PubChem CID 123812074) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-(3-fluorobuta-1,3-dien-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-fluorobuta-1,3-dien-2-yl)piperazine
PubChem CID123812074
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name1-(3-fluorobuta-1,3-dien-2-yl)piperazine
SMILESC=C(F)C(=C)N1CCNCC1
InChIInChI=1S/C8H13FN2/c1-7(9)8(2)11-5-3-10-4-6-11/h10H,1-6H2
InChIKeyVGVJCUIZFMBXSX-UHFFFAOYSA-N
XLogP0.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methylenepiperazine
CID 21906973
1-(3-Fluorobuta-1,3-dien-2-yl)-4-methylpiperazine
CID 123346502
1-(3-Fluorobuta-1,3-dien-2-yl)-3-methylpiperazine
CID 123825895
1-(4-Fluorohexa-2,4-dien-3-yl)piperazine
CID 123849712
1-(3-Fluorobuta-1,3-dien-2-yl)piperidin-3-amine
CID 134485832
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperazine
CID 142067409
(3E)-4-fluoro-5-piperazin-1-ylhexa-1,3,5-trien-2-amine
CID 143054123
1-(3,3,3-Trifluoroprop-1-en-2-yl)piperazine
CID 175625600
1-[(3Z)-3,4,5-trifluorohexa-1,3,5-trien-2-yl]piperazine
CID 177171535
3-Methylidene-1-(3,3,3-trifluoropropyl)piperazine
CID 162569377
1-[(3Z)-4-fluoropenta-1,3-dien-3-yl]piperazine
CID 176931848
1-Methyl-3-methylidenepiperazine
CID 17920505

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobuta-1,3-dien-2-yl)piperazine?
The IUPAC name of 1-(3-fluorobuta-1,3-dien-2-yl)piperazine (CID 123812074) is 1-(3-fluorobuta-1,3-dien-2-yl)piperazine.
What is the SMILES notation for 1-(3-fluorobuta-1,3-dien-2-yl)piperazine?
The canonical SMILES for 1-(3-fluorobuta-1,3-dien-2-yl)piperazine is C=C(F)C(=C)N1CCNCC1.
What is the InChIKey of 1-(3-fluorobuta-1,3-dien-2-yl)piperazine?
The InChIKey is VGVJCUIZFMBXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-7(9)8(2)11-5-3-10-4-6-11/h10H,1-6H2.
What are the key properties of 1-(3-fluorobuta-1,3-dien-2-yl)piperazine?
1-(3-fluorobuta-1,3-dien-2-yl)piperazine has a molecular weight of 156.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobuta-1,3-dien-2-yl)piperazine is sourced from PubChem (CID 123812074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).