3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol

C13H24FNO — CID 171952253

IUPAC3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(CCCCCF)CC2CCCC(C1)N2
InChIInChI=1S/C13H24FNO/c14-8-3-1-2-7-13(16)9-11-5-4-6-12(10-13)15-11/h11-12,15-16H,1-10H2
InChIKeyIHTZIOCYFQZUCT-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.55
Rot. Bonds5

About 3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952253) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952253
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(CCCCCF)CC2CCCC(C1)N2
InChIInChI=1S/C13H24FNO/c14-8-3-1-2-7-13(16)9-11-5-4-6-12(10-13)15-11/h11-12,15-16H,1-10H2
InChIKeyIHTZIOCYFQZUCT-UHFFFAOYSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952253) is 3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol is OC1(CCCCCF)CC2CCCC(C1)N2.
What is the InChIKey of 3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is IHTZIOCYFQZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c14-8-3-1-2-7-13(16)9-11-5-4-6-12(10-13)15-11/h11-12,15-16H,1-10H2.
What are the key properties of 3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 229.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropentyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).