1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one

C20H22FNO — CID 3905680

IUPAC1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
SMILESO=C(c1ccc(F)cc1)C(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C20H22FNO/c21-18-11-9-17(10-12-18)20(23)19(22-13-5-2-6-14-22)15-16-7-3-1-4-8-16/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyCNVYIWOLMJXYLZ-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.11
Rot. Bonds5

About 1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one

1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one (PubChem CID 3905680) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
PubChem CID3905680
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
SMILESO=C(c1ccc(F)cc1)C(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C20H22FNO/c21-18-11-9-17(10-12-18)20(23)19(22-13-5-2-6-14-22)15-16-7-3-1-4-8-16/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKeyCNVYIWOLMJXYLZ-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one (CID 3905680) is 1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one is O=C(c1ccc(F)cc1)C(Cc1ccccc1)N1CCCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
The InChIKey is CNVYIWOLMJXYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c21-18-11-9-17(10-12-18)20(23)19(22-13-5-2-6-14-22)15-16-7-3-1-4-8-16/h1,3-4,7-12,19H,2,5-6,13-15H2.
What are the key properties of 1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one?
1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one has a molecular weight of 311.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 3905680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).