2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine

C16H25FN2 — CID 174194797

IUPAC2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine
SMILESC=C/C=C(C(\F)=C/C)/N1CCN(C(=C)C)C(CC)C1
InChIInChI=1S/C16H25FN2/c1-6-9-16(15(17)8-3)18-10-11-19(13(4)5)14(7-2)12-18/h6,8-9,14H,1,4,7,10-12H2,2-3,5H3/b15-8+,16-9+
InChIKeyHHOOPPPYARRVQS-BVXMOGEKSA-N
MW264.39 g/mol
LogP3.86
Rot. Bonds5

About 2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine

2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine (PubChem CID 174194797) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine
PubChem CID174194797
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine
SMILESC=C/C=C(C(\F)=C/C)/N1CCN(C(=C)C)C(CC)C1
InChIInChI=1S/C16H25FN2/c1-6-9-16(15(17)8-3)18-10-11-19(13(4)5)14(7-2)12-18/h6,8-9,14H,1,4,7,10-12H2,2-3,5H3/b15-8+,16-9+
InChIKeyHHOOPPPYARRVQS-BVXMOGEKSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine?
The IUPAC name of 2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine (CID 174194797) is 2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine?
The canonical SMILES for 2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine is C=C/C=C(C(\F)=C/C)/N1CCN(C(=C)C)C(CC)C1.
What is the InChIKey of 2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine?
The InChIKey is HHOOPPPYARRVQS-BVXMOGEKSA-N. The full InChI is InChI=1S/C16H25FN2/c1-6-9-16(15(17)8-3)18-10-11-19(13(4)5)14(7-2)12-18/h6,8-9,14H,1,4,7,10-12H2,2-3,5H3/b15-8+,16-9+.
What are the key properties of 2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine?
2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine has a molecular weight of 264.39 g/mol, XLogP of 3.86, 5 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)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 174194797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).