(2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one

C16H19NO2 — CID 151906615

IUPAC(2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccccc1O)N1CCCCC1
InChIInChI=1S/C16H19NO2/c18-15-10-4-2-8-14(15)9-3-5-11-16(19)17-12-6-1-7-13-17/h2-5,8-11,18H,1,6-7,12-13H2/b9-3+,11-5+
InChIKeySTWJCOOCDSMDTP-UXWCBXOZSA-N
MW257.33 g/mol
LogP2.97
Rot. Bonds3

About (2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one

(2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one (PubChem CID 151906615) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
PubChem CID151906615
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
SMILESO=C(/C=C/C=C/c1ccccc1O)N1CCCCC1
InChIInChI=1S/C16H19NO2/c18-15-10-4-2-8-14(15)9-3-5-11-16(19)17-12-6-1-7-13-17/h2-5,8-11,18H,1,6-7,12-13H2/b9-3+,11-5+
InChIKeySTWJCOOCDSMDTP-UXWCBXOZSA-N
XLogP2.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one (CID 151906615) is (2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one is O=C(/C=C/C=C/c1ccccc1O)N1CCCCC1.
What is the InChIKey of (2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
The InChIKey is STWJCOOCDSMDTP-UXWCBXOZSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15-10-4-2-8-14(15)9-3-5-11-16(19)17-12-6-1-7-13-17/h2-5,8-11,18H,1,6-7,12-13H2/b9-3+,11-5+.
What are the key properties of (2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one?
(2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one has a molecular weight of 257.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(2-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 151906615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).