(1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol

C17H24FNO2 — CID 162632275

IUPAC(1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@H]2CCC[C@@H](C1)N2CCCOc1ccc(F)cc1
InChIInChI=1S/C17H24FNO2/c18-13-5-7-17(8-6-13)21-10-2-9-19-14-3-1-4-15(19)12-16(20)11-14/h5-8,14-16,20H,1-4,9-12H2/t14-,15+,16?
InChIKeyGLFUIBQPKCZJBB-XYPWUTKMSA-N
MW293.38 g/mol
LogP2.97
Rot. Bonds5

About (1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol

(1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 162632275) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is (1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID162632275
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name(1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@H]2CCC[C@@H](C1)N2CCCOc1ccc(F)cc1
InChIInChI=1S/C17H24FNO2/c18-13-5-7-17(8-6-13)21-10-2-9-19-14-3-1-4-15(19)12-16(20)11-14/h5-8,14-16,20H,1-4,9-12H2/t14-,15+,16?
InChIKeyGLFUIBQPKCZJBB-XYPWUTKMSA-N
XLogP2.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 162632275) is (1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol is OC1C[C@H]2CCC[C@@H](C1)N2CCCOc1ccc(F)cc1.
What is the InChIKey of (1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is GLFUIBQPKCZJBB-XYPWUTKMSA-N. The full InChI is InChI=1S/C17H24FNO2/c18-13-5-7-17(8-6-13)21-10-2-9-19-14-3-1-4-15(19)12-16(20)11-14/h5-8,14-16,20H,1-4,9-12H2/t14-,15+,16?.
What are the key properties of (1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol?
(1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 293.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-[3-(4-fluorophenoxy)propyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 162632275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).