methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate

C25H35NO4Si — CID 10983072

IUPACmethyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate
SMILESCCOC1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC
InChIInChI=1S/C25H35NO4Si/c1-6-29-23-19-20(17-18-26(23)24(27)28-5)30-31(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23H,6,17-19H2,1-5H3
InChIKeyMJXSPHYUDYORAI-UHFFFAOYSA-N
MW441.64 g/mol
LogP4.16
Rot. Bonds6

About methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate

methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate (PubChem CID 10983072) has the molecular formula C25H35NO4Si and a molecular weight of 441.64 g/mol. Its IUPAC name is methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate
PubChem CID10983072
Molecular FormulaC25H35NO4Si
Molecular Weight441.64 g/mol
Exact Mass441.23
IUPAC Namemethyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate
SMILESCCOC1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC
InChIInChI=1S/C25H35NO4Si/c1-6-29-23-19-20(17-18-26(23)24(27)28-5)30-31(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23H,6,17-19H2,1-5H3
InChIKeyMJXSPHYUDYORAI-UHFFFAOYSA-N
XLogP4.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.64
LogP ≤ 54.16
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

(3r,5s)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(hydroxymethyl)piperidine-1-carboxylate
CID 153639200
Tert-butyl 4-(2-{[tert-butyldiphenylsilyl]oxy}ethyl)-4-fluoro-1-piperidinecarboxylate
CID 21096977
4-[2-[Tert-butyl(diphenyl)silyl]oxyethyl]-4-fluoropiperidine-1-carboxylic acid
CID 66629305
(3S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 172708228
(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 175815286
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluoropiperidine-1-carboxylate
CID 177777799
ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate
CID 11215004
methyl (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-ynylpiperidine-1-carboxylate
CID 11812143
tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate
CID 101467337
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate
CID 134835662
tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
CID 135067649
(r)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-methylenepiperidine-1-carboxylate
CID 153639195

Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate?
The IUPAC name of methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate (CID 10983072) is methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate?
The canonical SMILES for methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate is CCOC1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC.
What is the InChIKey of methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate?
The InChIKey is MJXSPHYUDYORAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4Si/c1-6-29-23-19-20(17-18-26(23)24(27)28-5)30-31(25(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23H,6,17-19H2,1-5H3.
What are the key properties of methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate?
methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate has a molecular weight of 441.64 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate is sourced from PubChem (CID 10983072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).