tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate

C18H37NO4Si — CID 170939015

IUPACtert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCO
InChIInChI=1S/C18H37NO4Si/c1-17(2,3)22-16(21)19-11-9-15(13-14(19)10-12-20)23-24(7,8)18(4,5)6/h14-15,20H,9-13H2,1-8H3/t14-,15-/m0/s1
InChIKeyVTXYAUTTXSVWHA-GJZGRUSLSA-N
MW359.58 g/mol
LogP4.16
Rot. Bonds4

About tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate

tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 170939015) has the molecular formula C18H37NO4Si and a molecular weight of 359.58 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID170939015
Molecular FormulaC18H37NO4Si
Molecular Weight359.58 g/mol
Exact Mass359.25
IUPAC Nametert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCO
InChIInChI=1S/C18H37NO4Si/c1-17(2,3)22-16(21)19-11-9-15(13-14(19)10-12-20)23-24(7,8)18(4,5)6/h14-15,20H,9-13H2,1-8H3/t14-,15-/m0/s1
InChIKeyVTXYAUTTXSVWHA-GJZGRUSLSA-N
XLogP4.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 170939046
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 174195504
tert-butyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-hydroxyprop-1-enyl]piperidine-1-carboxylate
CID 11111484
ditert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 101367108
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 156892220
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-nitroethyl)pyrrolidine-1-carboxylate
CID 67891429
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10621099
tert-butyl 5-(2-hydroxyethyl)-1,4-oxazepane-4-carboxylate
CID 141310875
tert-butyl (2R,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)piperidine-1-carboxylate
CID 150868711

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate (CID 170939015) is tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCO.
What is the InChIKey of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is VTXYAUTTXSVWHA-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H37NO4Si/c1-17(2,3)22-16(21)19-11-9-15(13-14(19)10-12-20)23-24(7,8)18(4,5)6/h14-15,20H,9-13H2,1-8H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate?
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 359.58 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 170939015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).