tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane

C21H35NO3Si — CID 156620124

IUPACtert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane
SMILESCOc1ccc(C2(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)COC2)cc1
InChIInChI=1S/C21H35NO3Si/c1-20(2,3)26(5,6)25-19-11-13-22(14-12-19)21(15-24-16-21)17-7-9-18(23-4)10-8-17/h7-10,19H,11-16H2,1-6H3
InChIKeyQRBYBDJSBPLHTF-UHFFFAOYSA-N
MW377.60 g/mol
LogP4.41
Rot. Bonds5

About tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane

tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane (PubChem CID 156620124) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane
PubChem CID156620124
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Nametert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane
SMILESCOc1ccc(C2(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)COC2)cc1
InChIInChI=1S/C21H35NO3Si/c1-20(2,3)26(5,6)25-19-11-13-22(14-12-19)21(15-24-16-21)17-7-9-18(23-4)10-8-17/h7-10,19H,11-16H2,1-6H3
InChIKeyQRBYBDJSBPLHTF-UHFFFAOYSA-N
XLogP4.41
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[3-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]oxy]-dimethylsilane
CID 11079394
tert-butyl-cyclohept-4-en-1-yloxy-dimethylsilane
CID 11085508
1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride
CID 71750128
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol
CID 22319875
tert-butyl-(4-tert-butylcyclohexyl)oxy-dimethylsilane
CID 11021977
tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane
CID 163388633
tert-butyl-(5-cyclopentylidenecyclooctyl)oxy-dimethylsilane
CID 10638575
tert-butyl-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)oxy]-dimethylsilane
CID 139809790
4-(4-methoxyphenyl)-4-pyrrolidin-1-ylpiperidine
CID 82301932
methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate
CID 140704130
6-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]pyridazin-3-amine
CID 140876627
[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 67148861

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane (CID 156620124) is tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane is COc1ccc(C2(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)COC2)cc1.
What is the InChIKey of tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane?
The InChIKey is QRBYBDJSBPLHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-20(2,3)26(5,6)25-19-11-13-22(14-12-19)21(15-24-16-21)17-7-9-18(23-4)10-8-17/h7-10,19H,11-16H2,1-6H3.
What are the key properties of tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane?
tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane has a molecular weight of 377.60 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[3-(4-methoxyphenyl)oxetan-3-yl]piperidin-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 156620124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).