dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane

C14H23NOSi — CID 45480634

IUPACdimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane
SMILESC[N+]1([O-])CCC([Si](C)(C)c2ccccc2)CC1
InChIInChI=1S/C14H23NOSi/c1-15(16)11-9-14(10-12-15)17(2,3)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyHDJXTRKZEHHECC-UHFFFAOYSA-N
MW249.43 g/mol
LogP2.71
Rot. Bonds2

About dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane

dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane (PubChem CID 45480634) has the molecular formula C14H23NOSi and a molecular weight of 249.43 g/mol. Its IUPAC name is dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane.

Molecular Properties

Compound Namedimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane
PubChem CID45480634
Molecular FormulaC14H23NOSi
Molecular Weight249.43 g/mol
Exact Mass249.15
IUPAC Namedimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane
SMILESC[N+]1([O-])CCC([Si](C)(C)c2ccccc2)CC1
InChIInChI=1S/C14H23NOSi/c1-15(16)11-9-14(10-12-15)17(2,3)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyHDJXTRKZEHHECC-UHFFFAOYSA-N
XLogP2.71
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane?
The IUPAC name of dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane (CID 45480634) is dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane.
What is the SMILES notation for dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane?
The canonical SMILES for dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane is C[N+]1([O-])CCC([Si](C)(C)c2ccccc2)CC1.
What is the InChIKey of dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane?
The InChIKey is HDJXTRKZEHHECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOSi/c1-15(16)11-9-14(10-12-15)17(2,3)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3.
What are the key properties of dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane?
dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane has a molecular weight of 249.43 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1-methyl-1-oxidopiperidin-1-ium-4-yl)-phenylsilane is sourced from PubChem (CID 45480634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).