benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide

C20H28BrNSi — CID 139087630

IUPACbenzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide
SMILESC[Si@](Cc1ccccc1)(C[NH+]1CCCCC1)c1ccccc1.[Br-]
InChIInChI=1S/C20H27NSi.BrH/c1-22(20-13-7-3-8-14-20,17-19-11-5-2-6-12-19)18-21-15-9-4-10-16-21;/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3;1H/t22-;/m0./s1
InChIKeyBPEBBTNLBITBNB-FTBISJDPSA-N
MW390.44 g/mol
LogP-0.63
Rot. Bonds5

About benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide

benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide (PubChem CID 139087630) has the molecular formula C20H28BrNSi and a molecular weight of 390.44 g/mol. Its IUPAC name is benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide.

Molecular Properties

Compound Namebenzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide
PubChem CID139087630
Molecular FormulaC20H28BrNSi
Molecular Weight390.44 g/mol
Exact Mass389.12
IUPAC Namebenzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide
SMILESC[Si@](Cc1ccccc1)(C[NH+]1CCCCC1)c1ccccc1.[Br-]
InChIInChI=1S/C20H27NSi.BrH/c1-22(20-13-7-3-8-14-20,17-19-11-5-2-6-12-19)18-21-15-9-4-10-16-21;/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3;1H/t22-;/m0./s1
InChIKeyBPEBBTNLBITBNB-FTBISJDPSA-N
XLogP-0.63
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide?
The IUPAC name of benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide (CID 139087630) is benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide.
What is the SMILES notation for benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide?
The canonical SMILES for benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide is C[Si@](Cc1ccccc1)(C[NH+]1CCCCC1)c1ccccc1.[Br-].
What is the InChIKey of benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide?
The InChIKey is BPEBBTNLBITBNB-FTBISJDPSA-N. The full InChI is InChI=1S/C20H27NSi.BrH/c1-22(20-13-7-3-8-14-20,17-19-11-5-2-6-12-19)18-21-15-9-4-10-16-21;/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3;1H/t22-;/m0./s1.
What are the key properties of benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide?
benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide has a molecular weight of 390.44 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-methyl-phenyl-(piperidin-1-ium-1-ylmethyl)silane bromide is sourced from PubChem (CID 139087630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).