3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol

C12H22FNO — CID 171952932

IUPAC3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(CCCCF)CC2CCCC(C1)N2
InChIInChI=1S/C12H22FNO/c13-7-2-1-6-12(15)8-10-4-3-5-11(9-12)14-10/h10-11,14-15H,1-9H2
InChIKeyFBLYOMCJIHQQAG-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.16
Rot. Bonds4

About 3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952932) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952932
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(CCCCF)CC2CCCC(C1)N2
InChIInChI=1S/C12H22FNO/c13-7-2-1-6-12(15)8-10-4-3-5-11(9-12)14-10/h10-11,14-15H,1-9H2
InChIKeyFBLYOMCJIHQQAG-UHFFFAOYSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-fluorobutyl)-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

Related Compounds

1-((Piperidin-2-yl)methyl)cyclohexan-1-ol
CID 68606633
9-Aza-1-methylbicyclo[3.3.1]nonan-3-ol
CID 137291
(1R,3S)-i-Pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 129647981
3-(Trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 50990618
(1R,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 52420910
(1S,5S)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113066
(1R,5R)-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 98113068
5,5,5-Trifluoro-2-methyl-1-piperidin-2-ylpentan-2-ol
CID 116009422
1,1,1-Trifluoro-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 116009524
1,1-Difluoro-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 116009549
6,6,6-Trifluoro-2-methyl-1-piperidin-2-ylhexan-2-ol
CID 116009551
9-Methyl-3-(trifluoromethyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171951291

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952932) is 3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol is OC1(CCCCF)CC2CCCC(C1)N2.
What is the InChIKey of 3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is FBLYOMCJIHQQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c13-7-2-1-6-12(15)8-10-4-3-5-11(9-12)14-10/h10-11,14-15H,1-9H2.
What are the key properties of 3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 215.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobutyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).