(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one

C16H18FNO — CID 15866325

IUPAC(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C(F)=C/N1CCCCC1)c1ccccc1
InChIInChI=1S/C16H18FNO/c17-15(13-18-11-5-2-6-12-18)9-10-16(19)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2/b10-9+,15-13-
InChIKeyNDDDYLIFQYUNST-OFPSORBISA-N
MW259.32 g/mol
LogP3.72
Rot. Bonds4

About (2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one

(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one (PubChem CID 15866325) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one
PubChem CID15866325
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C(F)=C/N1CCCCC1)c1ccccc1
InChIInChI=1S/C16H18FNO/c17-15(13-18-11-5-2-6-12-18)9-10-16(19)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2/b10-9+,15-13-
InChIKeyNDDDYLIFQYUNST-OFPSORBISA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
CID 6377486
(E)-3-(azepan-1-yl)-1,3-diphenylprop-2-en-1-one
CID 11324202
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 1322238
(2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one
CID 134868213
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
(E)-3-cyclohexyloxy-1-phenylprop-2-en-1-one
CID 102524149
(E)-3-(2-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560783
(E)-1-(4-chlorophenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 877875
(2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one
CID 19560944
1-[(Z)-2-methylsulfanyl-2-phenylethenyl]pyrrolidine
CID 134854011
(2E,4Z)-4-(1-fluoroethenyl)-1-phenylhepta-2,4,6-trien-1-one
CID 145193587
2-phenyl-4,4-di(piperidin-1-yl)but-2-enal
CID 174886049

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one (CID 15866325) is (2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one is O=C(/C=C/C(F)=C/N1CCCCC1)c1ccccc1.
What is the InChIKey of (2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
The InChIKey is NDDDYLIFQYUNST-OFPSORBISA-N. The full InChI is InChI=1S/C16H18FNO/c17-15(13-18-11-5-2-6-12-18)9-10-16(19)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2/b10-9+,15-13-.
What are the key properties of (2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one?
(2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one has a molecular weight of 259.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-fluoro-1-phenyl-5-piperidin-1-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 15866325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).