2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

C12H15FN2 — CID 2760909

IUPAC2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESFc1ccc(CN2CC3CC2CN3)cc1
InChIInChI=1S/C12H15FN2/c13-10-3-1-9(2-4-10)7-15-8-11-5-12(15)6-14-11/h1-4,11-12,14H,5-8H2
InChIKeyWOCPIKSQKAHVNP-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.37
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane

2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 2760909) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID2760909
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
SMILESFc1ccc(CN2CC3CC2CN3)cc1
InChIInChI=1S/C12H15FN2/c13-10-3-1-9(2-4-10)7-15-8-11-5-12(15)6-14-11/h1-4,11-12,14H,5-8H2
InChIKeyWOCPIKSQKAHVNP-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane (CID 2760909) is 2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is Fc1ccc(CN2CC3CC2CN3)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is WOCPIKSQKAHVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c13-10-3-1-9(2-4-10)7-15-8-11-5-12(15)6-14-11/h1-4,11-12,14H,5-8H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane?
2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 206.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 2760909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).