tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane

C22H31NOSi — CID 85429224

IUPACtert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane
SMILESCC(C)(C)[Si](OCC1CCCCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NOSi/c1-22(2,3)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-18-19-12-10-11-17-23-19/h4-9,13-16,19,23H,10-12,17-18H2,1-3H3
InChIKeyYSUGHNQZQUXNQV-UHFFFAOYSA-N
MW353.58 g/mol
LogP3.71
Rot. Bonds5

About tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane

tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane (PubChem CID 85429224) has the molecular formula C22H31NOSi and a molecular weight of 353.58 g/mol. Its IUPAC name is tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane
PubChem CID85429224
Molecular FormulaC22H31NOSi
Molecular Weight353.58 g/mol
Exact Mass353.22
IUPAC Nametert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane
SMILESCC(C)(C)[Si](OCC1CCCCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NOSi/c1-22(2,3)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-18-19-12-10-11-17-23-19/h4-9,13-16,19,23H,10-12,17-18H2,1-3H3
InChIKeyYSUGHNQZQUXNQV-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 53.71
H-Bond Donors ≤ 51
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 tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane?
The IUPAC name of tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane (CID 85429224) is tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane.
What is the SMILES notation for tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane?
The canonical SMILES for tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane is CC(C)(C)[Si](OCC1CCCCN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane?
The InChIKey is YSUGHNQZQUXNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NOSi/c1-22(2,3)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-18-19-12-10-11-17-23-19/h4-9,13-16,19,23H,10-12,17-18H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane?
tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane has a molecular weight of 353.58 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(piperidin-2-ylmethoxy)silane is sourced from PubChem (CID 85429224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).