1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol

C20H20FNO — CID 24763655

IUPAC1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H20FNO/c1-2-20(23,16-6-10-18(21)11-7-16)17-8-12-19(13-9-17)22-14-4-3-5-15-22/h1,6-13,23H,3-5,14-15H2
InChIKeyRXADMHQVYNAKLV-UHFFFAOYSA-N
MW309.38 g/mol
LogP3.69
Rot. Bonds3

About 1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol

1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol (PubChem CID 24763655) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
PubChem CID24763655
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
SMILESC#CC(O)(c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H20FNO/c1-2-20(23,16-6-10-18(21)11-7-16)17-8-12-19(13-9-17)22-14-4-3-5-15-22/h1,6-13,23H,3-5,14-15H2
InChIKeyRXADMHQVYNAKLV-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol (CID 24763655) is 1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol is C#CC(O)(c1ccc(F)cc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol?
The InChIKey is RXADMHQVYNAKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO/c1-2-20(23,16-6-10-18(21)11-7-16)17-8-12-19(13-9-17)22-14-4-3-5-15-22/h1,6-13,23H,3-5,14-15H2.
What are the key properties of 1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol?
1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol has a molecular weight of 309.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol is sourced from PubChem (CID 24763655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).