8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane

C13H17FN2 — CID 58946811

IUPAC8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESFc1ccc(CN2C3CCC2CNC3)cc1
InChIInChI=1S/C13H17FN2/c14-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-15-7-12/h1-4,12-13,15H,5-9H2
InChIKeyTWNYQJGSYAYCJS-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.76
Rot. Bonds2

About 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane

8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 58946811) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID58946811
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESFc1ccc(CN2C3CCC2CNC3)cc1
InChIInChI=1S/C13H17FN2/c14-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-15-7-12/h1-4,12-13,15H,5-9H2
InChIKeyTWNYQJGSYAYCJS-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane 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 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane (CID 58946811) is 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane is Fc1ccc(CN2C3CCC2CNC3)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is TWNYQJGSYAYCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-15-7-12/h1-4,12-13,15H,5-9H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 220.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 58946811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).