(E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one

C14H17NO — CID 764160

IUPAC(E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H17NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+
InChIKeyKNOXUMZPTHELAO-MDZDMXLPSA-N
MW215.30 g/mol
LogP2.71
Rot. Bonds2

About (E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one

(E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 764160) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one
PubChem CID764160
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H17NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+
InChIKeyKNOXUMZPTHELAO-MDZDMXLPSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-phenyl-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one (CID 764160) is (E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCCCC1.
What is the InChIKey of (E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is KNOXUMZPTHELAO-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+.
What are the key properties of (E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one?
(E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 215.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 764160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).