(4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone

C15H18FNO3 — CID 163307294

IUPAC(4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone
SMILESO=C(c1ccc(F)c(O)c1)N1[C@@H]2CCC[C@H]1CC(O)C2
InChIInChI=1S/C15H18FNO3/c16-13-5-4-9(6-14(13)19)15(20)17-10-2-1-3-11(17)8-12(18)7-10/h4-6,10-12,18-19H,1-3,7-8H2/t10-,11+,12?
InChIKeyVYJYYKBPZUEBRE-FOSCPWQOSA-N
MW279.31 g/mol
LogP2.05
Rot. Bonds1

About (4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone

(4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone (PubChem CID 163307294) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone
PubChem CID163307294
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone
SMILESO=C(c1ccc(F)c(O)c1)N1[C@@H]2CCC[C@H]1CC(O)C2
InChIInChI=1S/C15H18FNO3/c16-13-5-4-9(6-14(13)19)15(20)17-10-2-1-3-11(17)8-12(18)7-10/h4-6,10-12,18-19H,1-3,7-8H2/t10-,11+,12?
InChIKeyVYJYYKBPZUEBRE-FOSCPWQOSA-N
XLogP2.05
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone (CID 163307294) is (4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone is O=C(c1ccc(F)c(O)c1)N1[C@@H]2CCC[C@H]1CC(O)C2.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone?
The InChIKey is VYJYYKBPZUEBRE-FOSCPWQOSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-13-5-4-9(6-14(13)19)15(20)17-10-2-1-3-11(17)8-12(18)7-10/h4-6,10-12,18-19H,1-3,7-8H2/t10-,11+,12?.
What are the key properties of (4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone?
(4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone has a molecular weight of 279.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)-[(1R,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonan-9-yl]methanone is sourced from PubChem (CID 163307294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).