(E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one

C14H17NO3 — CID 58220507

IUPAC(E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1O)N1CCCCC1
InChIInChI=1S/C14H17NO3/c16-12-6-4-11(13(17)10-12)5-7-14(18)15-8-2-1-3-9-15/h4-7,10,16-17H,1-3,8-9H2/b7-5+
InChIKeyUKQCAEMYGCOWGZ-FNORWQNLSA-N
MW247.29 g/mol
LogP2.12
Rot. Bonds2

About (E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one

(E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 58220507) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one
PubChem CID58220507
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(O)cc1O)N1CCCCC1
InChIInChI=1S/C14H17NO3/c16-12-6-4-11(13(17)10-12)5-7-14(18)15-8-2-1-3-9-15/h4-7,10,16-17H,1-3,8-9H2/b7-5+
InChIKeyUKQCAEMYGCOWGZ-FNORWQNLSA-N
XLogP2.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one (CID 58220507) is (E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one is O=C(/C=C/c1ccc(O)cc1O)N1CCCCC1.
What is the InChIKey of (E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is UKQCAEMYGCOWGZ-FNORWQNLSA-N. The full InChI is InChI=1S/C14H17NO3/c16-12-6-4-11(13(17)10-12)5-7-14(18)15-8-2-1-3-9-15/h4-7,10,16-17H,1-3,8-9H2/b7-5+.
What are the key properties of (E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one?
(E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 247.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dihydroxyphenyl)-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 58220507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).