2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine

C14H23FN2 — CID 144656760

IUPAC2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine
SMILESC=C/C(=C\C=C(/C)F)N1CCN(C)C(CC)C1
InChIInChI=1S/C14H23FN2/c1-5-13(8-7-12(3)15)17-10-9-16(4)14(6-2)11-17/h5,7-8,14H,1,6,9-11H2,2-4H3/b12-7+,13-8+
InChIKeyUTCGSTJHHDIJMZ-INOXDZRUSA-N
MW238.35 g/mol
LogP2.96
Rot. Bonds4

About 2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine

2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine (PubChem CID 144656760) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine
PubChem CID144656760
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine
SMILESC=C/C(=C\C=C(/C)F)N1CCN(C)C(CC)C1
InChIInChI=1S/C14H23FN2/c1-5-13(8-7-12(3)15)17-10-9-16(4)14(6-2)11-17/h5,7-8,14H,1,6,9-11H2,2-4H3/b12-7+,13-8+
InChIKeyUTCGSTJHHDIJMZ-INOXDZRUSA-N
XLogP2.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.96
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-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
N'-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099602
N-[2-[4-[(1E,3E,5E)-4,6-difluorohepta-1,3,5-trienyl]piperazin-1-yl]ethyl]-N-methylpropan-2-amine
CID 143046241
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane
CID 144662372
1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
CID 144995646
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 145468344
1-(5-fluoro-1-methyl-2H-pyridin-3-yl)-4-methylpiperazine
CID 156424085
1-[(3E)-2-fluoropenta-1,3-dien-3-yl]-4-methylpiperazine
CID 157906708
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine
CID 171622131
1-butyl-4-[(3E,6Z)-7-fluorohepta-1,3,6-trien-3-yl]piperazine
CID 173942774
1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
CID 174194314

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine?
The IUPAC name of 2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine (CID 144656760) is 2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine.
What is the SMILES notation for 2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine?
The canonical SMILES for 2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine is C=C/C(=C\C=C(/C)F)N1CCN(C)C(CC)C1.
What is the InChIKey of 2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine?
The InChIKey is UTCGSTJHHDIJMZ-INOXDZRUSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-13(8-7-12(3)15)17-10-9-16(4)14(6-2)11-17/h5,7-8,14H,1,6,9-11H2,2-4H3/b12-7+,13-8+.
What are the key properties of 2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine?
2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine has a molecular weight of 238.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine is sourced from PubChem (CID 144656760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).