1-(2-fluoronona-3,6-dien-5-yl)piperazine

C13H23FN2 — CID 123142512

IUPAC1-(2-fluoronona-3,6-dien-5-yl)piperazine
SMILESCCC=CC(C=CC(C)F)N1CCNCC1
InChIInChI=1S/C13H23FN2/c1-3-4-5-13(7-6-12(2)14)16-10-8-15-9-11-16/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyYITXPRFGYGKGBW-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.14
Rot. Bonds5

About 1-(2-fluoronona-3,6-dien-5-yl)piperazine

1-(2-fluoronona-3,6-dien-5-yl)piperazine (PubChem CID 123142512) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(2-fluoronona-3,6-dien-5-yl)piperazine.

Molecular Properties

Compound Name1-(2-fluoronona-3,6-dien-5-yl)piperazine
PubChem CID123142512
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Name1-(2-fluoronona-3,6-dien-5-yl)piperazine
SMILESCCC=CC(C=CC(C)F)N1CCNCC1
InChIInChI=1S/C13H23FN2/c1-3-4-5-13(7-6-12(2)14)16-10-8-15-9-11-16/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyYITXPRFGYGKGBW-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 67558052
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine
CID 90110608
6-(4-Ethylpiperazin-1-yl)-6-fluorocyclohexa-2,4-dien-1-amine
CID 118296270
4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine
CID 123637709
1-(2-Fluorocyclohepta-2,4,6-trien-1-yl)piperazine
CID 142112896
1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine
CID 142862529
(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
CID 142871687
1-[(2Z,4Z)-5-fluorohepta-2,4-dien-4-yl]piperazine
CID 143848920
1-(4-Fluoro-6-methylcyclohexa-2,4-dien-1-yl)piperazine
CID 154541137
(2S,3R,5R)-2-methyl-3-[(Z)-3-methylbut-1-enyl]-5-(trifluoromethyl)piperazine
CID 163486244
N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine
CID 163503304

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoronona-3,6-dien-5-yl)piperazine?
The IUPAC name of 1-(2-fluoronona-3,6-dien-5-yl)piperazine (CID 123142512) is 1-(2-fluoronona-3,6-dien-5-yl)piperazine.
What is the SMILES notation for 1-(2-fluoronona-3,6-dien-5-yl)piperazine?
The canonical SMILES for 1-(2-fluoronona-3,6-dien-5-yl)piperazine is CCC=CC(C=CC(C)F)N1CCNCC1.
What is the InChIKey of 1-(2-fluoronona-3,6-dien-5-yl)piperazine?
The InChIKey is YITXPRFGYGKGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2/c1-3-4-5-13(7-6-12(2)14)16-10-8-15-9-11-16/h4-7,12-13,15H,3,8-11H2,1-2H3.
What are the key properties of 1-(2-fluoronona-3,6-dien-5-yl)piperazine?
1-(2-fluoronona-3,6-dien-5-yl)piperazine has a molecular weight of 226.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoronona-3,6-dien-5-yl)piperazine is sourced from PubChem (CID 123142512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).