2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone

C16H26FN3O — CID 72518151

IUPAC2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone
SMILESC=C(F)C=CC(=C)C(C)N1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C16H26FN3O/c1-13(6-7-14(2)17)15(3)19-8-10-20(11-9-19)16(21)12-18(4)5/h6-7,15H,1-2,8-12H2,3-5H3
InChIKeyFJDOVYLUCDGSEN-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.68
Rot. Bonds6

About 2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone

2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone (PubChem CID 72518151) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone
PubChem CID72518151
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone
SMILESC=C(F)C=CC(=C)C(C)N1CCN(C(=O)CN(C)C)CC1
InChIInChI=1S/C16H26FN3O/c1-13(6-7-14(2)17)15(3)19-8-10-20(11-9-19)16(21)12-18(4)5/h6-7,15H,1-2,8-12H2,3-5H3
InChIKeyFJDOVYLUCDGSEN-UHFFFAOYSA-N
XLogP1.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone (CID 72518151) is 2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone is C=C(F)C=CC(=C)C(C)N1CCN(C(=O)CN(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone?
The InChIKey is FJDOVYLUCDGSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-13(6-7-14(2)17)15(3)19-8-10-20(11-9-19)16(21)12-18(4)5/h6-7,15H,1-2,8-12H2,3-5H3.
What are the key properties of 2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone?
2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone has a molecular weight of 295.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 72518151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).