1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one

C14H21FN2O — CID 143834913

IUPAC1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one
SMILESC=C(/C=C\C(F)=C/C)N1CCN(C(=O)CC)CC1
InChIInChI=1S/C14H21FN2O/c1-4-13(15)7-6-12(3)16-8-10-17(11-9-16)14(18)5-2/h4,6-7H,3,5,8-11H2,1-2H3/b7-6-,13-4+
InChIKeyCACJANXQNUVHMO-UCPAGOOESA-N
MW252.33 g/mol
LogP2.48
Rot. Bonds4

About 1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one

1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 143834913) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one
PubChem CID143834913
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one
SMILESC=C(/C=C\C(F)=C/C)N1CCN(C(=O)CC)CC1
InChIInChI=1S/C14H21FN2O/c1-4-13(15)7-6-12(3)16-8-10-17(11-9-16)14(18)5-2/h4,6-7H,3,5,8-11H2,1-2H3/b7-6-,13-4+
InChIKeyCACJANXQNUVHMO-UCPAGOOESA-N
XLogP2.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.48
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-(5-Fluorohexa-1,3,5-trien-3-yl)piperazin-1-yl]ethanone
CID 123929687
1-[4-[(2Z,4E)-4-fluorohexa-2,4-dienyl]piperazin-1-yl]propan-1-one
CID 143834955
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
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-4-yl]piperazine-1-carbaldehyde
CID 155749526
1-[4-[(1Z,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperazin-1-yl]ethanone
CID 155749593
1-(4-Hexa-2,4-dien-3-ylpiperazin-1-yl)ethanone
CID 123429031
1-(4-Hepta-2,4-dien-4-ylpiperazin-1-yl)ethanone
CID 123869836
1-[4-[(2Z,4Z,6E)-octa-2,4,6-trien-3-yl]piperazin-1-yl]ethanone
CID 134277667
N-(1,6-dimethyl-2H-pyridin-3-yl)-N-propylacetamide
CID 134406574
1-[4-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 139520063
1-[4-[(2E,4Z,6E)-7-phosphanylhepta-2,4,6-trien-3-yl]piperazin-1-yl]ethanone
CID 142154325

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one (CID 143834913) is 1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one is C=C(/C=C\C(F)=C/C)N1CCN(C(=O)CC)CC1.
What is the InChIKey of 1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is CACJANXQNUVHMO-UCPAGOOESA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-13(15)7-6-12(3)16-8-10-17(11-9-16)14(18)5-2/h4,6-7H,3,5,8-11H2,1-2H3/b7-6-,13-4+.
What are the key properties of 1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one?
1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 252.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 143834913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).