5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one

C23H27F2NO2 — CID 22413631

IUPAC5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one
SMILESCC(=O)C(CC(c1ccc(F)cc1)c1ccc(F)cc1)C(O)N1CCCCC1
InChIInChI=1S/C23H27F2NO2/c1-16(27)21(23(28)26-13-3-2-4-14-26)15-22(17-5-9-19(24)10-6-17)18-7-11-20(25)12-8-18/h5-12,21-23,28H,2-4,13-15H2,1H3
InChIKeyBHYNCFHDDBYZCJ-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.50
Rot. Bonds7

About 5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one

5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one (PubChem CID 22413631) has the molecular formula C23H27F2NO2 and a molecular weight of 387.47 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one
PubChem CID22413631
Molecular FormulaC23H27F2NO2
Molecular Weight387.47 g/mol
Exact Mass387.20
IUPAC Name5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one
SMILESCC(=O)C(CC(c1ccc(F)cc1)c1ccc(F)cc1)C(O)N1CCCCC1
InChIInChI=1S/C23H27F2NO2/c1-16(27)21(23(28)26-13-3-2-4-14-26)15-22(17-5-9-19(24)10-6-17)18-7-11-20(25)12-8-18/h5-12,21-23,28H,2-4,13-15H2,1H3
InChIKeyBHYNCFHDDBYZCJ-UHFFFAOYSA-N
XLogP4.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-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 5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one (CID 22413631) is 5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one is CC(=O)C(CC(c1ccc(F)cc1)c1ccc(F)cc1)C(O)N1CCCCC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one?
The InChIKey is BHYNCFHDDBYZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2NO2/c1-16(27)21(23(28)26-13-3-2-4-14-26)15-22(17-5-9-19(24)10-6-17)18-7-11-20(25)12-8-18/h5-12,21-23,28H,2-4,13-15H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one?
5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one has a molecular weight of 387.47 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-3-[hydroxy(piperidin-1-yl)methyl]pentan-2-one is sourced from PubChem (CID 22413631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).