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

C19H17NO3 — CID 11645883

IUPAC(3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)CNC/C1=C\c1ccc(O)cc1
InChIInChI=1S/C19H17NO3/c21-17-5-1-13(2-6-17)9-15-11-20-12-16(19(15)23)10-14-3-7-18(22)8-4-14/h1-10,20-22H,11-12H2/b15-9+,16-10+
InChIKeyDFVFPJDIMAIJDP-KAVGSWPWSA-N
MW307.35 g/mol
LogP2.74
Rot. Bonds2

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

(3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one (PubChem CID 11645883) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one.

Molecular Properties

Compound Name(3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one
PubChem CID11645883
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one
SMILESO=C1/C(=C/c2ccc(O)cc2)CNC/C1=C\c1ccc(O)cc1
InChIInChI=1S/C19H17NO3/c21-17-5-1-13(2-6-17)9-15-11-20-12-16(19(15)23)10-14-3-7-18(22)8-4-14/h1-10,20-22H,11-12H2/b15-9+,16-10+
InChIKeyDFVFPJDIMAIJDP-KAVGSWPWSA-N
XLogP2.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hydroxyphenyl)methylidene]piperidin-4-one?
The IUPAC name of (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one (CID 11645883) is (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one.
What is the SMILES notation for (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one?
The canonical SMILES for (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one is O=C1/C(=C/c2ccc(O)cc2)CNC/C1=C\c1ccc(O)cc1.
What is the InChIKey of (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one?
The InChIKey is DFVFPJDIMAIJDP-KAVGSWPWSA-N. The full InChI is InChI=1S/C19H17NO3/c21-17-5-1-13(2-6-17)9-15-11-20-12-16(19(15)23)10-14-3-7-18(22)8-4-14/h1-10,20-22H,11-12H2/b15-9+,16-10+.
What are the key properties of (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one?
(3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one has a molecular weight of 307.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]piperidin-4-one is sourced from PubChem (CID 11645883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).