tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane

C26H32N2OSi — CID 71485535

IUPACtert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane
SMILESCC(C)(C)[Si](O[C@H]1CCCN[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2OSi/c1-26(2,3)30(22-13-6-4-7-14-22,23-15-8-5-9-16-23)29-24-17-11-19-28-25(24)21-12-10-18-27-20-21/h4-10,12-16,18,20,24-25,28H,11,17,19H2,1-3H3/t24-,25+/m0/s1
InChIKeyMBAFWYXYILHJSO-LOSJGSFVSA-N
MW416.64 g/mol
LogP4.45
Rot. Bonds5

About tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane

tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane (PubChem CID 71485535) has the molecular formula C26H32N2OSi and a molecular weight of 416.64 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane
PubChem CID71485535
Molecular FormulaC26H32N2OSi
Molecular Weight416.64 g/mol
Exact Mass416.23
IUPAC Nametert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane
SMILESCC(C)(C)[Si](O[C@H]1CCCN[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2OSi/c1-26(2,3)30(22-13-6-4-7-14-22,23-15-8-5-9-16-23)29-24-17-11-19-28-25(24)21-12-10-18-27-20-21/h4-10,12-16,18,20,24-25,28H,11,17,19H2,1-3H3/t24-,25+/m0/s1
InChIKeyMBAFWYXYILHJSO-LOSJGSFVSA-N
XLogP4.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.64
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane with MolForge

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Related Compounds

2-pyridin-3-ylpiperidine-3-carboxylic acid
CID 83916473
tert-butyl-[[(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]-diphenylsilane
CID 11462313
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
(2S,3R)-3-phenoxy-2-phenylpiperidine
CID 97356138
trans-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclopentane-1-carboxylic acid
CID 177365841
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
[(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane
CID 177203387
(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 67757979
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
acetic acid;3-piperidin-2-ylpyridine
CID 175134059

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane?
The IUPAC name of tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane (CID 71485535) is tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane?
The canonical SMILES for tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane is CC(C)(C)[Si](O[C@H]1CCCN[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane?
The InChIKey is MBAFWYXYILHJSO-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H32N2OSi/c1-26(2,3)30(22-13-6-4-7-14-22,23-15-8-5-9-16-23)29-24-17-11-19-28-25(24)21-12-10-18-27-20-21/h4-10,12-16,18,20,24-25,28H,11,17,19H2,1-3H3/t24-,25+/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane?
tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane has a molecular weight of 416.64 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(2R,3S)-2-pyridin-3-ylpiperidin-3-yl]oxysilane is sourced from PubChem (CID 71485535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).