1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine

C11H19FN2 — CID 143848920

IUPAC1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine
SMILESC/C=C\C(=C(\F)CC)N1CCNCC1
InChIInChI=1S/C11H19FN2/c1-3-5-11(10(12)4-2)14-8-6-13-7-9-14/h3,5,13H,4,6-9H2,1-2H3/b5-3-,11-10-
InChIKeyGDXRIGYAUCOLJE-KECVDKFLSA-N
MW198.28 g/mol
LogP2.06
Rot. Bonds3

About 1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine

1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine (PubChem CID 143848920) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine.

Molecular Properties

Compound Name1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine
PubChem CID143848920
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine
SMILESC/C=C\C(=C(\F)CC)N1CCNCC1
InChIInChI=1S/C11H19FN2/c1-3-5-11(10(12)4-2)14-8-6-13-7-9-14/h3,5,13H,4,6-9H2,1-2H3/b5-3-,11-10-
InChIKeyGDXRIGYAUCOLJE-KECVDKFLSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.06
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

1-(6-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 67558052
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 70542288
1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
(1S)-3-fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473881
3-Fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473979
(1S)-3-fluoro-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 89473983
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
6-(4-Ethylpiperazin-1-yl)-6-fluorocyclohexa-2,4-dien-1-amine
CID 118296270
1-(2-Fluoronona-3,6-dien-5-yl)piperazine
CID 123142512

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine?
The IUPAC name of 1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine (CID 143848920) is 1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine.
What is the SMILES notation for 1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine?
The canonical SMILES for 1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine is C/C=C\C(=C(\F)CC)N1CCNCC1.
What is the InChIKey of 1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine?
The InChIKey is GDXRIGYAUCOLJE-KECVDKFLSA-N. The full InChI is InChI=1S/C11H19FN2/c1-3-5-11(10(12)4-2)14-8-6-13-7-9-14/h3,5,13H,4,6-9H2,1-2H3/b5-3-,11-10-.
What are the key properties of 1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine?
1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine has a molecular weight of 198.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine is sourced from PubChem (CID 143848920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).