1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one

C13H15NO2 — CID 22973667

IUPAC1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one
SMILESO=C1CCN(c2ccc(/C=C/O)cc2)CC1
InChIInChI=1S/C13H15NO2/c15-10-7-11-1-3-12(4-2-11)14-8-5-13(16)6-9-14/h1-4,7,10,15H,5-6,8-9H2/b10-7+
InChIKeyLZLSLPSXLAGXFV-JXMROGBWSA-N
MW217.27 g/mol
LogP2.38
Rot. Bonds2

About 1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one

1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one (PubChem CID 22973667) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one.

Molecular Properties

Compound Name1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one
PubChem CID22973667
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one
SMILESO=C1CCN(c2ccc(/C=C/O)cc2)CC1
InChIInChI=1S/C13H15NO2/c15-10-7-11-1-3-12(4-2-11)14-8-5-13(16)6-9-14/h1-4,7,10,15H,5-6,8-9H2/b10-7+
InChIKeyLZLSLPSXLAGXFV-JXMROGBWSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one?
The IUPAC name of 1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one (CID 22973667) is 1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one.
What is the SMILES notation for 1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one?
The canonical SMILES for 1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one is O=C1CCN(c2ccc(/C=C/O)cc2)CC1.
What is the InChIKey of 1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one?
The InChIKey is LZLSLPSXLAGXFV-JXMROGBWSA-N. The full InChI is InChI=1S/C13H15NO2/c15-10-7-11-1-3-12(4-2-11)14-8-5-13(16)6-9-14/h1-4,7,10,15H,5-6,8-9H2/b10-7+.
What are the key properties of 1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one?
1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one has a molecular weight of 217.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-hydroxyethenyl]phenyl]piperidin-4-one is sourced from PubChem (CID 22973667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).