1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one

C27H31NOSi — CID 10573796

IUPAC1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one
SMILESCN1C(=O)CCC(C)(C)C1C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NOSi/c1-27(2)20-19-26(29)28(3)25(27)21-30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3
InChIKeyPOGXBYVDQJFPJB-UHFFFAOYSA-N
MW413.64 g/mol
LogP3.80
Rot. Bonds5

About 1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one

1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one (PubChem CID 10573796) has the molecular formula C27H31NOSi and a molecular weight of 413.64 g/mol. Its IUPAC name is 1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one.

Molecular Properties

Compound Name1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one
PubChem CID10573796
Molecular FormulaC27H31NOSi
Molecular Weight413.64 g/mol
Exact Mass413.22
IUPAC Name1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one
SMILESCN1C(=O)CCC(C)(C)C1C[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NOSi/c1-27(2)20-19-26(29)28(3)25(27)21-30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3
InChIKeyPOGXBYVDQJFPJB-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.64
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one?
The IUPAC name of 1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one (CID 10573796) is 1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one.
What is the SMILES notation for 1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one?
The canonical SMILES for 1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one is CN1C(=O)CCC(C)(C)C1C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one?
The InChIKey is POGXBYVDQJFPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NOSi/c1-27(2)20-19-26(29)28(3)25(27)21-30(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3.
What are the key properties of 1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one?
1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one has a molecular weight of 413.64 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-6-(triphenylsilylmethyl)piperidin-2-one is sourced from PubChem (CID 10573796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).