(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one

C19H15F2NO — CID 5469267

IUPAC(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one
SMILESO=C1/C(=C/c2ccc(F)cc2)CNC/C1=C\c1ccc(F)cc1
InChIInChI=1S/C19H15F2NO/c20-17-5-1-13(2-6-17)9-15-11-22-12-16(19(15)23)10-14-3-7-18(21)8-4-14/h1-10,22H,11-12H2/b15-9+,16-10+
InChIKeyASJBYMPCFLKDGD-KAVGSWPWSA-N
MW311.33 g/mol
LogP3.60
Rot. Bonds2

About (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one

(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one (PubChem CID 5469267) has the molecular formula C19H15F2NO and a molecular weight of 311.33 g/mol. Its IUPAC name is (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one.

Molecular Properties

Compound Name(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one
PubChem CID5469267
Molecular FormulaC19H15F2NO
Molecular Weight311.33 g/mol
Exact Mass311.11
IUPAC Name(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one
SMILESO=C1/C(=C/c2ccc(F)cc2)CNC/C1=C\c1ccc(F)cc1
InChIInChI=1S/C19H15F2NO/c20-17-5-1-13(2-6-17)9-15-11-22-12-16(19(15)23)10-14-3-7-18(21)8-4-14/h1-10,22H,11-12H2/b15-9+,16-10+
InChIKeyASJBYMPCFLKDGD-KAVGSWPWSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one?
The IUPAC name of (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one (CID 5469267) is (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one.
What is the SMILES notation for (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one?
The canonical SMILES for (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one is O=C1/C(=C/c2ccc(F)cc2)CNC/C1=C\c1ccc(F)cc1.
What is the InChIKey of (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one?
The InChIKey is ASJBYMPCFLKDGD-KAVGSWPWSA-N. The full InChI is InChI=1S/C19H15F2NO/c20-17-5-1-13(2-6-17)9-15-11-22-12-16(19(15)23)10-14-3-7-18(21)8-4-14/h1-10,22H,11-12H2/b15-9+,16-10+.
What are the key properties of (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one?
(3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one has a molecular weight of 311.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one is sourced from PubChem (CID 5469267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).