tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate

C20H41NO3Si — CID 143813318

IUPACtert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate
SMILESCC(C)[Si](OCC1CCCCN1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H41NO3Si/c1-15(2)25(16(3)4,17(5)6)23-14-18-12-10-11-13-21(18)19(22)24-20(7,8)9/h15-18H,10-14H2,1-9H3
InChIKeyZMWVQNGGROEEEL-UHFFFAOYSA-N
MW371.64 g/mol
LogP5.97
Rot. Bonds6

About tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate

tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate (PubChem CID 143813318) has the molecular formula C20H41NO3Si and a molecular weight of 371.64 g/mol. Its IUPAC name is tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate
PubChem CID143813318
Molecular FormulaC20H41NO3Si
Molecular Weight371.64 g/mol
Exact Mass371.29
IUPAC Nametert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate
SMILESCC(C)[Si](OCC1CCCCN1C(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H41NO3Si/c1-15(2)25(16(3)4,17(5)6)23-14-18-12-10-11-13-21(18)19(22)24-20(7,8)9/h15-18H,10-14H2,1-9H3
InChIKeyZMWVQNGGROEEEL-UHFFFAOYSA-N
XLogP5.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.64
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl (2S)-2-(difluoromethoxymethyl)piperidine-1-carboxylate
CID 134177579
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-(trifluoromethoxymethyl)piperidine-1-carboxylate
CID 54772419
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
CID 175712806
tert-butyl (2S)-2-(trifluoromethylsulfonyloxymethyl)piperidine-1-carboxylate
CID 98057049
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate (CID 143813318) is tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate is CC(C)[Si](OCC1CCCCN1C(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate?
The InChIKey is ZMWVQNGGROEEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3Si/c1-15(2)25(16(3)4,17(5)6)23-14-18-12-10-11-13-21(18)19(22)24-20(7,8)9/h15-18H,10-14H2,1-9H3.
What are the key properties of tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate?
tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate has a molecular weight of 371.64 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 143813318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).