2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile

C13H15FN2O — CID 67301728

IUPAC2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile
SMILESN#Cc1c(F)cccc1OCN1CCCCC1
InChIInChI=1S/C13H15FN2O/c14-12-5-4-6-13(11(12)9-15)17-10-16-7-2-1-3-8-16/h4-6H,1-3,7-8,10H2
InChIKeyMHFYQBILMJICQZ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.52
Rot. Bonds3

About 2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile

2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile (PubChem CID 67301728) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile
PubChem CID67301728
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile
SMILESN#Cc1c(F)cccc1OCN1CCCCC1
InChIInChI=1S/C13H15FN2O/c14-12-5-4-6-13(11(12)9-15)17-10-16-7-2-1-3-8-16/h4-6H,1-3,7-8,10H2
InChIKeyMHFYQBILMJICQZ-UHFFFAOYSA-N
XLogP2.52
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile 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 2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile?
The IUPAC name of 2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile (CID 67301728) is 2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile?
The canonical SMILES for 2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile is N#Cc1c(F)cccc1OCN1CCCCC1.
What is the InChIKey of 2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile?
The InChIKey is MHFYQBILMJICQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-12-5-4-6-13(11(12)9-15)17-10-16-7-2-1-3-8-16/h4-6H,1-3,7-8,10H2.
What are the key properties of 2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile?
2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile has a molecular weight of 234.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile is sourced from PubChem (CID 67301728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).