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

C19H15Cl2NO — CID 5469265

IUPAC(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)CNC/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2NO/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+
InChIKeyLBNHBGZGFHYLAA-KAVGSWPWSA-N
MW344.24 g/mol
LogP4.63
Rot. Bonds2

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

(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one (PubChem CID 5469265) has the molecular formula C19H15Cl2NO and a molecular weight of 344.24 g/mol. Its IUPAC name is (3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one.

Molecular Properties

Compound Name(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one
PubChem CID5469265
Molecular FormulaC19H15Cl2NO
Molecular Weight344.24 g/mol
Exact Mass343.05
IUPAC Name(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)CNC/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C19H15Cl2NO/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+
InChIKeyLBNHBGZGFHYLAA-KAVGSWPWSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.63
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one?
The IUPAC name of (3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one (CID 5469265) is (3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one.
What is the SMILES notation for (3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one?
The canonical SMILES for (3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one is O=C1/C(=C/c2ccc(Cl)cc2)CNC/C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one?
The InChIKey is LBNHBGZGFHYLAA-KAVGSWPWSA-N. The full InChI is InChI=1S/C19H15Cl2NO/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-chlorophenyl)methylidene]piperidin-4-one?
(3E,5E)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one has a molecular weight of 344.24 g/mol, XLogP of 4.63, 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-chlorophenyl)methylidene]piperidin-4-one is sourced from PubChem (CID 5469265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).