(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane

C18H29NOSi — CID 164584456

IUPAC(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29NOSi/c1-4-21(5-2,6-3)20-18-12-14-19(15-13-18)16-17-10-8-7-9-11-17/h7-12H,4-6,13-16H2,1-3H3
InChIKeyYLXFNUSHYHZICF-UHFFFAOYSA-N
MW303.52 g/mol
LogP4.80
Rot. Bonds7

About (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane

(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane (PubChem CID 164584456) has the molecular formula C18H29NOSi and a molecular weight of 303.52 g/mol. Its IUPAC name is (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane.

Molecular Properties

Compound Name(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane
PubChem CID164584456
Molecular FormulaC18H29NOSi
Molecular Weight303.52 g/mol
Exact Mass303.20
IUPAC Name(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29NOSi/c1-4-21(5-2,6-3)20-18-12-14-19(15-13-18)16-17-10-8-7-9-11-17/h7-12H,4-6,13-16H2,1-3H3
InChIKeyYLXFNUSHYHZICF-UHFFFAOYSA-N
XLogP4.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane?
The IUPAC name of (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane (CID 164584456) is (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane.
What is the SMILES notation for (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane?
The canonical SMILES for (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane is CC[Si](CC)(CC)OC1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane?
The InChIKey is YLXFNUSHYHZICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOSi/c1-4-21(5-2,6-3)20-18-12-14-19(15-13-18)16-17-10-8-7-9-11-17/h7-12H,4-6,13-16H2,1-3H3.
What are the key properties of (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane?
(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane has a molecular weight of 303.52 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,6-dihydro-2H-pyridin-4-yl)oxy-triethylsilane is sourced from PubChem (CID 164584456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).