1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol

C23H23FN2O — CID 15737995

IUPAC1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol
SMILESOC(CN1CCCC1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C23H23FN2O/c24-22-9-7-21(8-10-22)23(27,17-26-15-1-2-16-26)20-5-3-18(4-6-20)19-11-13-25-14-12-19/h3-14,27H,1-2,15-17H2
InChIKeyFWXGGSLWJRYADG-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.22
Rot. Bonds5

About 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol

1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol (PubChem CID 15737995) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol
PubChem CID15737995
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol
SMILESOC(CN1CCCC1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C23H23FN2O/c24-22-9-7-21(8-10-22)23(27,17-26-15-1-2-16-26)20-5-3-18(4-6-20)19-11-13-25-14-12-19/h3-14,27H,1-2,15-17H2
InChIKeyFWXGGSLWJRYADG-UHFFFAOYSA-N
XLogP4.22
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol?
The IUPAC name of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol (CID 15737995) is 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol is OC(CN1CCCC1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol?
The InChIKey is FWXGGSLWJRYADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c24-22-9-7-21(8-10-22)23(27,17-26-15-1-2-16-26)20-5-3-18(4-6-20)19-11-13-25-14-12-19/h3-14,27H,1-2,15-17H2.
What are the key properties of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol?
1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol has a molecular weight of 362.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 15737995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).