(5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane

C23H35F2N3 — CID 153371923

IUPAC(5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane
SMILESC=C/C(F)=C\C=C1/CCCCN(C(/C=C(/F)CN2CCCCC2)=C/C)CCN1
InChIInChI=1S/C23H35F2N3/c1-3-20(24)11-12-22-10-6-9-16-28(17-13-26-22)23(4-2)18-21(25)19-27-14-7-5-8-15-27/h3-4,11-12,18,26H,1,5-10,13-17,19H2,2H3/b20-11+,21-18+,22-12+,23-4+
InChIKeyCLPKQQQKMWXOJR-XFRANGFRSA-N
MW391.55 g/mol
LogP5.23
Rot. Bonds6

About (5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane

(5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane (PubChem CID 153371923) has the molecular formula C23H35F2N3 and a molecular weight of 391.55 g/mol. Its IUPAC name is (5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane.

Molecular Properties

Compound Name(5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane
PubChem CID153371923
Molecular FormulaC23H35F2N3
Molecular Weight391.55 g/mol
Exact Mass391.28
IUPAC Name(5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane
SMILESC=C/C(F)=C\C=C1/CCCCN(C(/C=C(/F)CN2CCCCC2)=C/C)CCN1
InChIInChI=1S/C23H35F2N3/c1-3-20(24)11-12-22-10-6-9-16-28(17-13-26-22)23(4-2)18-21(25)19-27-14-7-5-8-15-27/h3-4,11-12,18,26H,1,5-10,13-17,19H2,2H3/b20-11+,21-18+,22-12+,23-4+
InChIKeyCLPKQQQKMWXOJR-XFRANGFRSA-N
XLogP5.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.55
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane with MolForge

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Related Compounds

1-(4-Fluorocyclohexa-1,5-dien-1-yl)-8-methyl-1,4-diazonane
CID 129260267
1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine
CID 142873363
(2E,5R)-6-(2-fluoro-2-methylpropyl)-5-methyl-2-[(2Z)-penta-2,4-dienylidene]-3,4,5,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine
CID 154987694
(2E,3Z)-3-ethylidene-6-(2-fluoro-2-methylpropyl)-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 164922896
7-[4-(3,5-difluorocyclohexa-1,5-dien-1-yl)piperazin-1-yl]-4-N-ethenyl-3-N-methylocta-1,2,7-triene-3,4-diamine
CID 176548171
(2E,3Z)-6-(2,2-difluoropropyl)-3-ethylidene-5-methyl-2-prop-2-enylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 164923739
(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 170951195
Ethane;fluoroethane;1-(2-methyl-7-propylcyclohepta-1,4,6-trien-1-yl)piperazine
CID 141806339
ethane;N-methyl-3-[4-[(5Z)-5-[(Z)-prop-1-enyl]octa-5,7-dienyl]piperazin-1-yl]prop-1-en-2-amine
CID 142386338
1-[(3Z,4E)-4-ethylidene-3-(3-methylbut-3-en-2-ylidene)cyclohexa-1,5-dien-1-yl]-N-(2-piperidin-1-ylethyl)ethenamine;molecular hydrogen
CID 156841408
(Z)-but-2-ene;(3Z)-3-[(Z)-but-2-enylidene]-6-(2-fluoro-2-methylpropyl)-5-methyl-2-methylidene-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 170951194
butane;ethane;(2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine
CID 177223307

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane?
The IUPAC name of (5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane (CID 153371923) is (5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane.
What is the SMILES notation for (5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane?
The canonical SMILES for (5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane is C=C/C(F)=C\C=C1/CCCCN(C(/C=C(/F)CN2CCCCC2)=C/C)CCN1.
What is the InChIKey of (5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane?
The InChIKey is CLPKQQQKMWXOJR-XFRANGFRSA-N. The full InChI is InChI=1S/C23H35F2N3/c1-3-20(24)11-12-22-10-6-9-16-28(17-13-26-22)23(4-2)18-21(25)19-27-14-7-5-8-15-27/h3-4,11-12,18,26H,1,5-10,13-17,19H2,2H3/b20-11+,21-18+,22-12+,23-4+.
What are the key properties of (5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane?
(5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane has a molecular weight of 391.55 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2E)-3-fluoropenta-2,4-dienylidene]-1-[(2E,4E)-5-fluoro-6-piperidin-1-ylhexa-2,4-dien-3-yl]-1,4-diazonane is sourced from PubChem (CID 153371923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).