[(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol

C15H20FNO — CID 10490848

IUPAC[(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol
SMILESCN1[C@@H]2CC[C@H]1[C@@H](CO)[C@H](c1ccc(F)cc1)C2
InChIInChI=1S/C15H20FNO/c1-17-12-6-7-15(17)14(9-18)13(8-12)10-2-4-11(16)5-3-10/h2-5,12-15,18H,6-9H2,1H3/t12-,13+,14+,15+/m1/s1
InChIKeyCZRLQYHGYBWJCU-QPSCCSFWSA-N
MW249.33 g/mol
LogP2.38
Rot. Bonds2

About [(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol

[(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol (PubChem CID 10490848) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is [(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol
PubChem CID10490848
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name[(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol
SMILESCN1[C@@H]2CC[C@H]1[C@@H](CO)[C@H](c1ccc(F)cc1)C2
InChIInChI=1S/C15H20FNO/c1-17-12-6-7-15(17)14(9-18)13(8-12)10-2-4-11(16)5-3-10/h2-5,12-15,18H,6-9H2,1H3/t12-,13+,14+,15+/m1/s1
InChIKeyCZRLQYHGYBWJCU-QPSCCSFWSA-N
XLogP2.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol?
The IUPAC name of [(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol (CID 10490848) is [(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol.
What is the SMILES notation for [(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol?
The canonical SMILES for [(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol is CN1[C@@H]2CC[C@H]1[C@@H](CO)[C@H](c1ccc(F)cc1)C2.
What is the InChIKey of [(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol?
The InChIKey is CZRLQYHGYBWJCU-QPSCCSFWSA-N. The full InChI is InChI=1S/C15H20FNO/c1-17-12-6-7-15(17)14(9-18)13(8-12)10-2-4-11(16)5-3-10/h2-5,12-15,18H,6-9H2,1H3/t12-,13+,14+,15+/m1/s1.
What are the key properties of [(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol?
[(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol has a molecular weight of 249.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methanol is sourced from PubChem (CID 10490848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).