dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane

C13H21NOSi — CID 21145343

IUPACdimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane
SMILESC[Si](C)(c1ccccc1)C1CCCC[NH+]1[O-]
InChIInChI=1S/C13H21NOSi/c1-16(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)15/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3
InChIKeyKYRJHBIKXODZSQ-UHFFFAOYSA-N
MW235.40 g/mol
LogP1.08
Rot. Bonds2

About dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane

dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane (PubChem CID 21145343) has the molecular formula C13H21NOSi and a molecular weight of 235.40 g/mol. Its IUPAC name is dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane.

Molecular Properties

Compound Namedimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane
PubChem CID21145343
Molecular FormulaC13H21NOSi
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Namedimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane
SMILESC[Si](C)(c1ccccc1)C1CCCC[NH+]1[O-]
InChIInChI=1S/C13H21NOSi/c1-16(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)15/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3
InChIKeyKYRJHBIKXODZSQ-UHFFFAOYSA-N
XLogP1.08
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl-dimethyl-phenylsilane
CID 59962320
dimethyl-[(1S,2R)-2-methylcyclohexyl]-phenylsilane
CID 11117937
dimethyl-[(2R)-1-oxidopiperidin-2-yl]-phenylsilane
CID 162460450
cyclopentyl-methyl-diphenylsilane
CID 123376620
dimethyl-(2-methylidenecyclohexyl)-phenylsilane
CID 13299161
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 90726871
dimethyl-(3-methylcyclohex-2-en-1-yl)-phenylsilane
CID 10421400
[(2S,3S)-3-[dimethyl(phenyl)silyl]oxiran-2-yl]-dimethyl-phenylsilane
CID 15526879
cis-(1R,3S)-3-[dimethyl(phenyl)silyl]cyclohexan-1-ol
CID 101053529
cis-(1S,3R)-3-[dimethyl(phenyl)silyl]cyclopentan-1-ol
CID 10013756
[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane
CID 134942155
[(E)-2-cyclohexylethenyl]-dimethyl-phenylsilane
CID 135044086

Frequently Asked Questions

What is the IUPAC name of dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane?
The IUPAC name of dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane (CID 21145343) is dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane.
What is the SMILES notation for dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane?
The canonical SMILES for dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane is C[Si](C)(c1ccccc1)C1CCCC[NH+]1[O-].
What is the InChIKey of dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane?
The InChIKey is KYRJHBIKXODZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOSi/c1-16(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)15/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3.
What are the key properties of dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane?
dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane has a molecular weight of 235.40 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(1-oxidopiperidin-1-ium-2-yl)-phenylsilane is sourced from PubChem (CID 21145343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).