1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one

C13H21FN2O — CID 143834955

IUPAC1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one
SMILESC/C=C(F)\C=C/CN1CCN(C(=O)CC)CC1
InChIInChI=1S/C13H21FN2O/c1-3-12(14)6-5-7-15-8-10-16(11-9-15)13(17)4-2/h3,5-6H,4,7-11H2,1-2H3/b6-5-,12-3+
InChIKeyQEEMBQRUWTZYGR-JQFMXUTPSA-N
MW240.32 g/mol
LogP1.97
Rot. Bonds4

About 1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one

1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one (PubChem CID 143834955) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one
PubChem CID143834955
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one
SMILESC/C=C(F)\C=C/CN1CCN(C(=O)CC)CC1
InChIInChI=1S/C13H21FN2O/c1-3-12(14)6-5-7-15-8-10-16(11-9-15)13(17)4-2/h3,5-6H,4,7-11H2,1-2H3/b6-5-,12-3+
InChIKeyQEEMBQRUWTZYGR-JQFMXUTPSA-N
XLogP1.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

rel-(+)-(2E,4E)-1-((2R,5S)-2,4,5-Trimethyl-1-piperazinyl)-2,4-hexadien-1-one
CID 15939563
Piperazine, 1-acetyl-4-(2-propenyl)-
CID 17147468
(2E,4E)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-2,4-dien-1-one
CID 51074925
Nigragilline
CID 6442375
1-[4-(5-Fluorohexa-1,3,5-trien-3-yl)piperazin-1-yl]ethanone
CID 123929687
1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one
CID 143834913
2-Fluoro-2-methyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 144859636
1-[4-[(3E,5E)-6-fluorohexa-1,3,5-trien-3-yl]piperazin-1-yl]butan-1-one
CID 155393144
(E)-1-(3,4-dimethylpiperazin-1-yl)-4-fluorobut-2-en-1-one
CID 169136287
ethane;(2E,4Z)-2-methyl-1-[4-(trifluoromethyl)piperazin-1-yl]hexa-2,4-dien-1-one
CID 178050391
1-[(2e,4e)-2,4-Hexadienoyl]-2,4,5-trimethylpiperazine
CID 20846902
2-Fluoro-1-[4-(3-methyl-2-buten-1-yl)-1-piperazinyl]ethanone
CID 45081124

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one (CID 143834955) is 1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one is C/C=C(F)\C=C/CN1CCN(C(=O)CC)CC1.
What is the InChIKey of 1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one?
The InChIKey is QEEMBQRUWTZYGR-JQFMXUTPSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-12(14)6-5-7-15-8-10-16(11-9-15)13(17)4-2/h3,5-6H,4,7-11H2,1-2H3/b6-5-,12-3+.
What are the key properties of 1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one?
1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one has a molecular weight of 240.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 143834955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).