1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine

C13H21FN2 — CID 170709309

IUPAC1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C=C(/F)C(=C)CN1CCN(CC)CC1
InChIInChI=1S/C13H21FN2/c1-4-6-13(14)12(3)11-16-9-7-15(5-2)8-10-16/h4,6H,1,3,5,7-11H2,2H3/b13-6+
InChIKeyDAYNGYUCXFPSJH-AWNIVKPZSA-N
MW224.32 g/mol
LogP2.22
Rot. Bonds5

About 1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine

1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine (PubChem CID 170709309) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine
PubChem CID170709309
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C=C(/F)C(=C)CN1CCN(CC)CC1
InChIInChI=1S/C13H21FN2/c1-4-6-13(14)12(3)11-16-9-7-15(5-2)8-10-16/h4,6H,1,3,5,7-11H2,2H3/b13-6+
InChIKeyDAYNGYUCXFPSJH-AWNIVKPZSA-N
XLogP2.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-[2-Ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
CID 123401847
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-Ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine
CID 123724920
1-Ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine
CID 123728932
1-[2-Ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine
CID 123762068
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine?
The IUPAC name of 1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine (CID 170709309) is 1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine is C=C/C=C(/F)C(=C)CN1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine?
The InChIKey is DAYNGYUCXFPSJH-AWNIVKPZSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-6-13(14)12(3)11-16-9-7-15(5-2)8-10-16/h4,6H,1,3,5,7-11H2,2H3/b13-6+.
What are the key properties of 1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine?
1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine has a molecular weight of 224.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine is sourced from PubChem (CID 170709309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).