4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one

C22H24FNO3 — CID 23329056

IUPAC4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one
SMILESO=C(c1ccccc1)C(O)CC(F)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24FNO3/c23-20(15-19(25)22(27)17-9-5-2-6-10-17)24-13-11-18(12-14-24)21(26)16-7-3-1-4-8-16/h1-10,18-20,25H,11-15H2
InChIKeyAJFLNGWKRDEZCO-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.51
Rot. Bonds7

About 4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one

4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one (PubChem CID 23329056) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one
PubChem CID23329056
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one
SMILESO=C(c1ccccc1)C(O)CC(F)N1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24FNO3/c23-20(15-19(25)22(27)17-9-5-2-6-10-17)24-13-11-18(12-14-24)21(26)16-7-3-1-4-8-16/h1-10,18-20,25H,11-15H2
InChIKeyAJFLNGWKRDEZCO-UHFFFAOYSA-N
XLogP3.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one?
The IUPAC name of 4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one (CID 23329056) is 4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one.
What is the SMILES notation for 4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one?
The canonical SMILES for 4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one is O=C(c1ccccc1)C(O)CC(F)N1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one?
The InChIKey is AJFLNGWKRDEZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3/c23-20(15-19(25)22(27)17-9-5-2-6-10-17)24-13-11-18(12-14-24)21(26)16-7-3-1-4-8-16/h1-10,18-20,25H,11-15H2.
What are the key properties of 4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one?
4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one has a molecular weight of 369.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzoylpiperidin-1-yl)-4-fluoro-2-hydroxy-1-phenylbutan-1-one is sourced from PubChem (CID 23329056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).