tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate

C22H34FN3O2Si — CID 44514533

IUPACtert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate
SMILESCC[Si](CC)(CC)c1cnc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1F
InChIInChI=1S/C22H34FN3O2Si/c1-7-29(8-2,9-3)18-15-25-19(14-17(18)23)22(16-24)10-12-26(13-11-22)20(27)28-21(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyVMIRAGJUDJAECV-UHFFFAOYSA-N
MW419.62 g/mol
LogP4.73
Rot. Bonds5

About tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 44514533) has the molecular formula C22H34FN3O2Si and a molecular weight of 419.62 g/mol. Its IUPAC name is tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate
PubChem CID44514533
Molecular FormulaC22H34FN3O2Si
Molecular Weight419.62 g/mol
Exact Mass419.24
IUPAC Nametert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate
SMILESCC[Si](CC)(CC)c1cnc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1F
InChIInChI=1S/C22H34FN3O2Si/c1-7-29(8-2,9-3)18-15-25-19(14-17(18)23)22(16-24)10-12-26(13-11-22)20(27)28-21(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyVMIRAGJUDJAECV-UHFFFAOYSA-N
XLogP4.73
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.62
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate 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

tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111
tert-butyl 4-cyano-4-(3,5-difluorophenyl)piperidine-1-carboxylate
CID 156587453
tert-butyl 4-cyano-4-[4-(hydroxymethyl)phenyl]piperidine-1-carboxylate;ethane
CID 144802299
tert-butyl 4-fluoro-4-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]piperidine-1-carboxylate
CID 172716585
tert-butyl 3-cyano-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 22236898
tert-butyl 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 59322280
tert-butyl 4-cyano-4-[(5-fluoro-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 59322301
tert-butyl 4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carboxylate;6-(4-fluoropiperidin-4-yl)pyridine-3-carbonitrile
CID 159932461
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621
tert-butyl 4-hydroxy-4-[(pyrazin-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 126847305
tert-butyl 4-(4-bromo-6-chloro-1H-benzimidazol-2-yl)-4-cyanopiperidine-1-carboxylate
CID 143699079
tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)-4-cyanopiperidine-1-carboxylate
CID 146625138

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate (CID 44514533) is tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate is CC[Si](CC)(CC)c1cnc(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)cc1F.
What is the InChIKey of tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate?
The InChIKey is VMIRAGJUDJAECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3O2Si/c1-7-29(8-2,9-3)18-15-25-19(14-17(18)23)22(16-24)10-12-26(13-11-22)20(27)28-21(4,5)6/h14-15H,7-13H2,1-6H3.
What are the key properties of tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 419.62 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyano-4-(4-fluoro-5-triethylsilyl-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 44514533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).