3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol

C15H20FNO2 — CID 649551

IUPAC3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOCCN1C2CCC1CC(O)(c1ccc(F)cc1)C2
InChIInChI=1S/C15H20FNO2/c16-12-3-1-11(2-4-12)15(19)9-13-5-6-14(10-15)17(13)7-8-18/h1-4,13-14,18-19H,5-10H2
InChIKeyLWZUUNIDWNNRQN-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.63
Rot. Bonds3

About 3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 649551) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID649551
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOCCN1C2CCC1CC(O)(c1ccc(F)cc1)C2
InChIInChI=1S/C15H20FNO2/c16-12-3-1-11(2-4-12)15(19)9-13-5-6-14(10-15)17(13)7-8-18/h1-4,13-14,18-19H,5-10H2
InChIKeyLWZUUNIDWNNRQN-UHFFFAOYSA-N
XLogP1.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 649551) is 3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol is OCCN1C2CCC1CC(O)(c1ccc(F)cc1)C2.
What is the InChIKey of 3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LWZUUNIDWNNRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-12-3-1-11(2-4-12)15(19)9-13-5-6-14(10-15)17(13)7-8-18/h1-4,13-14,18-19H,5-10H2.
What are the key properties of 3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 265.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 649551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).