3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C12H22FNO — CID 171952923

IUPAC3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(CCCCF)C2
InChIInChI=1S/C12H22FNO/c1-14-10-4-5-11(14)9-12(15,8-10)6-2-3-7-13/h10-11,15H,2-9H2,1H3
InChIKeyMFHNFLMECNIQIQ-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.11
Rot. Bonds4

About 3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171952923) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171952923
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(CCCCF)C2
InChIInChI=1S/C12H22FNO/c1-14-10-4-5-11(14)9-12(15,8-10)6-2-3-7-13/h10-11,15H,2-9H2,1H3
InChIKeyMFHNFLMECNIQIQ-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 382572
(1R,5S)-3-hydroxy-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 10944366
3-Cyano-3-hydroxy-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane
CID 18316935
3-Cyano-3-hydroxy-8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octane
CID 18352160
3-(1,1-Difluoroethyl)-8-methanidyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 58123630
8-Methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 61644733
8-[(2-Methylpropan-2-yl)oxymethyl]-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 146374927
4-(4-Fluoropentyl)-1-methylpiperidin-4-ol
CID 146582970
1-[(1S,2R,3R,5R)-2-fluoro-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropan-2-ol
CID 178006137
3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 535477
3-(1,1-Difluoroethyl)-8-methanidyl-8-azabicyclo[3.2.1]octan-3-ol
CID 58123631
3-(3,3,3-Trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 64566988

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171952923) is 3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(CCCCF)C2.
What is the InChIKey of 3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is MFHNFLMECNIQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-14-10-4-5-11(14)9-12(15,8-10)6-2-3-7-13/h10-11,15H,2-9H2,1H3.
What are the key properties of 3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 215.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobutyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).