2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile

C13H15FN2 — CID 11535874

IUPAC2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile
SMILESCN1CCC(c2cccc(C#N)c2F)CC1
InChIInChI=1S/C13H15FN2/c1-16-7-5-10(6-8-16)12-4-2-3-11(9-15)13(12)14/h2-4,10H,5-8H2,1H3
InChIKeyCZABYGMRFRAZHG-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.51
Rot. Bonds1

About 2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile

2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile (PubChem CID 11535874) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile
PubChem CID11535874
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile
SMILESCN1CCC(c2cccc(C#N)c2F)CC1
InChIInChI=1S/C13H15FN2/c1-16-7-5-10(6-8-16)12-4-2-3-11(9-15)13(12)14/h2-4,10H,5-8H2,1H3
InChIKeyCZABYGMRFRAZHG-UHFFFAOYSA-N
XLogP2.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-3-(1-methylpiperidin-4-yl)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-3-(1-methylpiperidin-4-yl)benzonitrile?
The IUPAC name of 2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile (CID 11535874) is 2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile?
The canonical SMILES for 2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile is CN1CCC(c2cccc(C#N)c2F)CC1.
What is the InChIKey of 2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile?
The InChIKey is CZABYGMRFRAZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-16-7-5-10(6-8-16)12-4-2-3-11(9-15)13(12)14/h2-4,10H,5-8H2,1H3.
What are the key properties of 2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile?
2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile has a molecular weight of 218.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile is sourced from PubChem (CID 11535874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).