1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one

C21H24FNO2 — CID 122185197

IUPAC1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one
SMILESO=C(CCc1ccc(CN2CCCCC2)c(O)c1)c1ccc(F)cc1
InChIInChI=1S/C21H24FNO2/c22-19-9-7-17(8-10-19)20(24)11-5-16-4-6-18(21(25)14-16)15-23-12-2-1-3-13-23/h4,6-10,14,25H,1-3,5,11-13,15H2
InChIKeySTDNURMAIMPVRY-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.33
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one

1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one (PubChem CID 122185197) has the molecular formula C21H24FNO2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one
PubChem CID122185197
Molecular FormulaC21H24FNO2
Molecular Weight341.43 g/mol
Exact Mass341.18
IUPAC Name1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one
SMILESO=C(CCc1ccc(CN2CCCCC2)c(O)c1)c1ccc(F)cc1
InChIInChI=1S/C21H24FNO2/c22-19-9-7-17(8-10-19)20(24)11-5-16-4-6-18(21(25)14-16)15-23-12-2-1-3-13-23/h4,6-10,14,25H,1-3,5,11-13,15H2
InChIKeySTDNURMAIMPVRY-UHFFFAOYSA-N
XLogP4.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one (CID 122185197) is 1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one is O=C(CCc1ccc(CN2CCCCC2)c(O)c1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one?
The InChIKey is STDNURMAIMPVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO2/c22-19-9-7-17(8-10-19)20(24)11-5-16-4-6-18(21(25)14-16)15-23-12-2-1-3-13-23/h4,6-10,14,25H,1-3,5,11-13,15H2.
What are the key properties of 1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one?
1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one has a molecular weight of 341.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-hydroxy-4-(piperidin-1-ylmethyl)phenyl]propan-1-one is sourced from PubChem (CID 122185197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).