2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile

C14H17FN2O — CID 163390250

IUPAC2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile
SMILESCN1CCC(OCc2ccc(C#N)c(F)c2)CC1
InChIInChI=1S/C14H17FN2O/c1-17-6-4-13(5-7-17)18-10-11-2-3-12(9-16)14(15)8-11/h2-3,8,13H,4-7,10H2,1H3
InChIKeyJLVAUBJNRWLPBW-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.31
Rot. Bonds3

About 2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile

2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile (PubChem CID 163390250) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile
PubChem CID163390250
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile
SMILESCN1CCC(OCc2ccc(C#N)c(F)c2)CC1
InChIInChI=1S/C14H17FN2O/c1-17-6-4-13(5-7-17)18-10-11-2-3-12(9-16)14(15)8-11/h2-3,8,13H,4-7,10H2,1H3
InChIKeyJLVAUBJNRWLPBW-UHFFFAOYSA-N
XLogP2.31
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]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-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile (CID 163390250) is 2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile is CN1CCC(OCc2ccc(C#N)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile?
The InChIKey is JLVAUBJNRWLPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-17-6-4-13(5-7-17)18-10-11-2-3-12(9-16)14(15)8-11/h2-3,8,13H,4-7,10H2,1H3.
What are the key properties of 2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile?
2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile has a molecular weight of 248.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(1-methylpiperidin-4-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 163390250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).