6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile

C11H14FN3 — CID 147805246

IUPAC6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile
SMILESN#CC1C=CC(C2(F)CCNCC2)=NC1
InChIInChI=1S/C11H14FN3/c12-11(3-5-14-6-4-11)10-2-1-9(7-13)8-15-10/h1-2,9,14H,3-6,8H2
InChIKeyHMHKGWZIRQMJGA-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.23
Rot. Bonds1

About 6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile

6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile (PubChem CID 147805246) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile
PubChem CID147805246
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile
SMILESN#CC1C=CC(C2(F)CCNCC2)=NC1
InChIInChI=1S/C11H14FN3/c12-11(3-5-14-6-4-11)10-2-1-9(7-13)8-15-10/h1-2,9,14H,3-6,8H2
InChIKeyHMHKGWZIRQMJGA-UHFFFAOYSA-N
XLogP1.23
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-ethyl-5-(4-fluoropiperidin-4-yl)-4-methyliminopent-2-enenitrile
CID 163385829
2-(3-Fluoro-2,3-dihydropyridin-6-yl)-2-piperidin-4-ylideneacetonitrile
CID 166108395
2,4a,5,6,7,8-Hexahydro-1,7-naphthyridine
CID 91486096
(Z)-1-piperidin-4-ylbut-2-en-1-imine
CID 162748453

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile (CID 147805246) is 6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile is N#CC1C=CC(C2(F)CCNCC2)=NC1.
What is the InChIKey of 6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile?
The InChIKey is HMHKGWZIRQMJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c12-11(3-5-14-6-4-11)10-2-1-9(7-13)8-15-10/h1-2,9,14H,3-6,8H2.
What are the key properties of 6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile?
6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile has a molecular weight of 207.25 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 147805246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).