1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone

C18H25FN2O — CID 75442320

IUPAC1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone
SMILESC=CCCC(C)N1CCN(c2ccc(C(C)=O)cc2F)CC1
InChIInChI=1S/C18H25FN2O/c1-4-5-6-14(2)20-9-11-21(12-10-20)18-8-7-16(15(3)22)13-17(18)19/h4,7-8,13-14H,1,5-6,9-12H2,2-3H3
InChIKeyPLUDQUCRNNUQJR-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.51
Rot. Bonds6

About 1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone

1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone (PubChem CID 75442320) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone
PubChem CID75442320
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone
SMILESC=CCCC(C)N1CCN(c2ccc(C(C)=O)cc2F)CC1
InChIInChI=1S/C18H25FN2O/c1-4-5-6-14(2)20-9-11-21(12-10-20)18-8-7-16(15(3)22)13-17(18)19/h4,7-8,13-14H,1,5-6,9-12H2,2-3H3
InChIKeyPLUDQUCRNNUQJR-UHFFFAOYSA-N
XLogP3.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 51322795
4-(4-acetyl-2-fluorophenyl)-N-(6-methylheptan-2-yl)piperazine-1-carboxamide
CID 42954156
(2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26383352
1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone
CID 114237147
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 55470526
1-[3-fluoro-4-[4-[[3-(hydroxymethyl)oxetan-3-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 111976551
1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone
CID 62091090
1-[3-fluoro-4-[4-(2-nitrophenyl)piperazin-1-yl]phenyl]ethanone
CID 26447855
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
CID 119836972
4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 17445710
methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate
CID 26382410

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone (CID 75442320) is 1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone is C=CCCC(C)N1CCN(c2ccc(C(C)=O)cc2F)CC1.
What is the InChIKey of 1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone?
The InChIKey is PLUDQUCRNNUQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-4-5-6-14(2)20-9-11-21(12-10-20)18-8-7-16(15(3)22)13-17(18)19/h4,7-8,13-14H,1,5-6,9-12H2,2-3H3.
What are the key properties of 1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone?
1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone has a molecular weight of 304.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-hex-5-en-2-ylpiperazin-1-yl)phenyl]ethanone is sourced from PubChem (CID 75442320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).