(E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one

C15H19NO3 — CID 6450018

IUPAC(E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one
SMILESCOc1cc(/C=C/C(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C15H19NO3/c1-19-14-11-12(5-7-13(14)17)6-8-15(18)16-9-3-2-4-10-16/h5-8,11,17H,2-4,9-10H2,1H3/b8-6+
InChIKeyHSNHZGKSAZOEPE-SOFGYWHQSA-N
MW261.32 g/mol
LogP2.43
Rot. Bonds3

About (E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one

(E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 6450018) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one
PubChem CID6450018
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one
SMILESCOc1cc(/C=C/C(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C15H19NO3/c1-19-14-11-12(5-7-13(14)17)6-8-15(18)16-9-3-2-4-10-16/h5-8,11,17H,2-4,9-10H2,1H3/b8-6+
InChIKeyHSNHZGKSAZOEPE-SOFGYWHQSA-N
XLogP2.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-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 (E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one (CID 6450018) is (E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one is COc1cc(/C=C/C(=O)N2CCCCC2)ccc1O.
What is the InChIKey of (E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is HSNHZGKSAZOEPE-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-14-11-12(5-7-13(14)17)6-8-15(18)16-9-3-2-4-10-16/h5-8,11,17H,2-4,9-10H2,1H3/b8-6+.
What are the key properties of (E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one?
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 261.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-methoxyphenyl)-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 6450018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).