(E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one

C19H19FN2O — CID 59149615

IUPAC(E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(-c2ccccc2F)n1)N1CCCCC1
InChIInChI=1S/C19H19FN2O/c20-17-9-3-2-8-16(17)18-10-6-7-15(21-18)11-12-19(23)22-13-4-1-5-14-22/h2-3,6-12H,1,4-5,13-14H2/b12-11+
InChIKeyKMRSJYBHYGEXCG-VAWYXSNFSA-N
MW310.37 g/mol
LogP3.91
Rot. Bonds3

About (E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one

(E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 59149615) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is (E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
PubChem CID59149615
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name(E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(-c2ccccc2F)n1)N1CCCCC1
InChIInChI=1S/C19H19FN2O/c20-17-9-3-2-8-16(17)18-10-6-7-15(21-18)11-12-19(23)22-13-4-1-5-14-22/h2-3,6-12H,1,4-5,13-14H2/b12-11+
InChIKeyKMRSJYBHYGEXCG-VAWYXSNFSA-N
XLogP3.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one (CID 59149615) is (E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one is O=C(/C=C/c1cccc(-c2ccccc2F)n1)N1CCCCC1.
What is the InChIKey of (E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is KMRSJYBHYGEXCG-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19FN2O/c20-17-9-3-2-8-16(17)18-10-6-7-15(21-18)11-12-19(23)22-13-4-1-5-14-22/h2-3,6-12H,1,4-5,13-14H2/b12-11+.
What are the key properties of (E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one?
(E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 310.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-(2-fluorophenyl)-2-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 59149615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).