5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one

C23H27F2NO2 — CID 67739822

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

About 5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one

5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one (PubChem CID 67739822) has the molecular formula C23H27F2NO2 and a molecular weight of 387.47 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one
PubChem CID67739822
Molecular FormulaC23H27F2NO2
Molecular Weight387.47 g/mol
Exact Mass387.20
IUPAC Name5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one
SMILESCC(=O)C(CO)CC(c1ccc(F)cc1)(c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C23H27F2NO2/c1-17(28)18(16-27)15-23(26-13-3-2-4-14-26,19-5-9-21(24)10-6-19)20-7-11-22(25)12-8-20/h5-12,18,27H,2-4,13-16H2,1H3
InChIKeyFDDOYXWSSWDFMR-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one?
The IUPAC name of 5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one (CID 67739822) is 5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one is CC(=O)C(CO)CC(c1ccc(F)cc1)(c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one?
The InChIKey is FDDOYXWSSWDFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2NO2/c1-17(28)18(16-27)15-23(26-13-3-2-4-14-26,19-5-9-21(24)10-6-19)20-7-11-22(25)12-8-20/h5-12,18,27H,2-4,13-16H2,1H3.
What are the key properties of 5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one?
5,5-bis(4-fluorophenyl)-3-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one has a molecular weight of 387.47 g/mol, XLogP of 4.28, 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-(hydroxymethyl)-5-piperidin-1-ylpentan-2-one is sourced from PubChem (CID 67739822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).