4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine

C15H21NSi — CID 176867954

IUPAC4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC[Si]1(C)Cc2ccc(C3=CCNCC3)cc2C1
InChIInChI=1S/C15H21NSi/c1-17(2)10-14-4-3-13(9-15(14)11-17)12-5-7-16-8-6-12/h3-5,9,16H,6-8,10-11H2,1-2H3
InChIKeyPXJWIOYVKZLLFZ-UHFFFAOYSA-N
MW243.43 g/mol
LogP2.95
Rot. Bonds1

About 4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine

4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 176867954) has the molecular formula C15H21NSi and a molecular weight of 243.43 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine
PubChem CID176867954
Molecular FormulaC15H21NSi
Molecular Weight243.43 g/mol
Exact Mass243.14
IUPAC Name4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine
SMILESC[Si]1(C)Cc2ccc(C3=CCNCC3)cc2C1
InChIInChI=1S/C15H21NSi/c1-17(2)10-14-4-3-13(9-15(14)11-17)12-5-7-16-8-6-12/h3-5,9,16H,6-8,10-11H2,1-2H3
InChIKeyPXJWIOYVKZLLFZ-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine (CID 176867954) is 4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine is C[Si]1(C)Cc2ccc(C3=CCNCC3)cc2C1.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is PXJWIOYVKZLLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NSi/c1-17(2)10-14-4-3-13(9-15(14)11-17)12-5-7-16-8-6-12/h3-5,9,16H,6-8,10-11H2,1-2H3.
What are the key properties of 4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine?
4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 243.43 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dihydro-2-benzosilol-5-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 176867954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).