2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine

C12H19FN2 — CID 143269798

IUPAC2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine
SMILESC=C(F)/C(=C\C=C/C)CC1CNCCN1
InChIInChI=1S/C12H19FN2/c1-3-4-5-11(10(2)13)8-12-9-14-6-7-15-12/h3-5,12,14-15H,2,6-9H2,1H3/b4-3-,11-5-
InChIKeyMHYKQIKBMKDFST-RUTRJIIFSA-N
MW210.30 g/mol
LogP1.92
Rot. Bonds4

About 2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine

2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine (PubChem CID 143269798) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine.

Molecular Properties

Compound Name2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine
PubChem CID143269798
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine
SMILESC=C(F)/C(=C\C=C/C)CC1CNCCN1
InChIInChI=1S/C12H19FN2/c1-3-4-5-11(10(2)13)8-12-9-14-6-7-15-12/h3-5,12,14-15H,2,6-9H2,1H3/b4-3-,11-5-
InChIKeyMHYKQIKBMKDFST-RUTRJIIFSA-N
XLogP1.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine?
The IUPAC name of 2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine (CID 143269798) is 2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine.
What is the SMILES notation for 2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine?
The canonical SMILES for 2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine is C=C(F)/C(=C\C=C/C)CC1CNCCN1.
What is the InChIKey of 2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine?
The InChIKey is MHYKQIKBMKDFST-RUTRJIIFSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-4-5-11(10(2)13)8-12-9-14-6-7-15-12/h3-5,12,14-15H,2,6-9H2,1H3/b4-3-,11-5-.
What are the key properties of 2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine?
2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine has a molecular weight of 210.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine is sourced from PubChem (CID 143269798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).