methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate

C26H35NO3Si — CID 11133917

IUPACmethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC
InChIInChI=1S/C26H35NO3Si/c1-6-13-21-20-22(18-19-27(21)25(28)29-5)30-31(26(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h6-12,14-17,21-22H,1,13,18-20H2,2-5H3/t21-,22+/m0/s1
InChIKeyVYWPAMAGNOGKJW-FCHUYYIVSA-N
MW437.66 g/mol
LogP4.74
Rot. Bonds6

About methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate

methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate (PubChem CID 11133917) has the molecular formula C26H35NO3Si and a molecular weight of 437.66 g/mol. Its IUPAC name is methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate
PubChem CID11133917
Molecular FormulaC26H35NO3Si
Molecular Weight437.66 g/mol
Exact Mass437.24
IUPAC Namemethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate
SMILESC=CC[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC
InChIInChI=1S/C26H35NO3Si/c1-6-13-21-20-22(18-19-27(21)25(28)29-5)30-31(26(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h6-12,14-17,21-22H,1,13,18-20H2,2-5H3/t21-,22+/m0/s1
InChIKeyVYWPAMAGNOGKJW-FCHUYYIVSA-N
XLogP4.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.66
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-((Tert-butyldiphenylsilyl)oxy)-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one
CID 135391124
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
tert-butyl-[(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamic acid
CID 67035639
Tert-butyl-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamic acid
CID 67955910
tert-butyl-[(1S,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamic acid
CID 67955911
tert-butyl-[(1S,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamic acid
CID 123464502
Butyl 4-[2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 141325288
Tert-butyl 4-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]piperazine-1-carboxylate
CID 171811047
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 172577445
(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

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate (CID 11133917) is methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate is C=CC[C@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC.
What is the InChIKey of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is VYWPAMAGNOGKJW-FCHUYYIVSA-N. The full InChI is InChI=1S/C26H35NO3Si/c1-6-13-21-20-22(18-19-27(21)25(28)29-5)30-31(26(2,3)4,23-14-9-7-10-15-23)24-16-11-8-12-17-24/h6-12,14-17,21-22H,1,13,18-20H2,2-5H3/t21-,22+/m0/s1.
What are the key properties of methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate?
methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 437.66 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 11133917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).