(1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane

C19H33NOSi — CID 90151330

IUPAC(1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1CN(Cc2ccccc2)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33NOSi/c1-16-14-20(15-17-10-8-7-9-11-17)13-12-18(16)21-22(5,6)19(2,3)4/h7-11,16,18H,12-15H2,1-6H3
InChIKeyXAXZKUJKVUGLDT-UHFFFAOYSA-N
MW319.56 g/mol
LogP4.92
Rot. Bonds4

About (1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane

(1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 90151330) has the molecular formula C19H33NOSi and a molecular weight of 319.56 g/mol. Its IUPAC name is (1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane
PubChem CID90151330
Molecular FormulaC19H33NOSi
Molecular Weight319.56 g/mol
Exact Mass319.23
IUPAC Name(1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCC1CN(Cc2ccccc2)CCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33NOSi/c1-16-14-20(15-17-10-8-7-9-11-17)13-12-18(16)21-22(5,6)19(2,3)4/h7-11,16,18H,12-15H2,1-6H3
InChIKeyXAXZKUJKVUGLDT-UHFFFAOYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 54.92
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-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane (CID 90151330) is (1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane is CC1CN(Cc2ccccc2)CCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is XAXZKUJKVUGLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NOSi/c1-16-14-20(15-17-10-8-7-9-11-17)13-12-18(16)21-22(5,6)19(2,3)4/h7-11,16,18H,12-15H2,1-6H3.
What are the key properties of (1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane?
(1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 319.56 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3-methylpiperidin-4-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 90151330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).