tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate

C18H37NO4Si — CID 170726765

IUPACtert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@](C)(O)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-16(2,3)23-15(20)19-12-10-11-18(7,21)14(19)13-22-24(8,9)17(4,5)6/h14,21H,10-13H2,1-9H3/t14-,18-/m1/s1
InChIKeyFTEXFPSFZXCHCU-RDTXWAMCSA-N
MW359.58 g/mol
LogP4.16
Rot. Bonds3

About tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate

tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate (PubChem CID 170726765) has the molecular formula C18H37NO4Si and a molecular weight of 359.58 g/mol. Its IUPAC name is tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate
PubChem CID170726765
Molecular FormulaC18H37NO4Si
Molecular Weight359.58 g/mol
Exact Mass359.25
IUPAC Nametert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@](C)(O)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37NO4Si/c1-16(2,3)23-15(20)19-12-10-11-18(7,21)14(19)13-22-24(8,9)17(4,5)6/h14,21H,10-13H2,1-9H3/t14-,18-/m1/s1
InChIKeyFTEXFPSFZXCHCU-RDTXWAMCSA-N
XLogP4.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate
CID 99794930
tert-butyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepiperidine-1-carboxylate
CID 66733909
tert-butyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolidine-1-carboxylate
CID 162403149
tert-butyl (2R,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxypiperidine-1-carboxylate
CID 11845978
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypiperidine-1-carboxylate
CID 11845979
tert-butyl (2R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)piperidine-1-carboxylate
CID 150868711
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentan-1-ol
CID 75230273
tert-butyl (2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]pyrrolidine-1-carboxylate
CID 14808647
tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 91034299
tert-butyl (2S,3R)-3-hydroxy-3-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 58149386
tert-butyl (2S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66733511
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 174050124

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate (CID 170726765) is tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@](C)(O)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate?
The InChIKey is FTEXFPSFZXCHCU-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H37NO4Si/c1-16(2,3)23-15(20)19-12-10-11-18(7,21)14(19)13-22-24(8,9)17(4,5)6/h14,21H,10-13H2,1-9H3/t14-,18-/m1/s1.
What are the key properties of tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate?
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate has a molecular weight of 359.58 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 170726765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).