tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate

C16H33NO3Si — CID 174041768

IUPACtert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H33NO3Si/c1-15(2,3)19-14(18)17-11-9-10-13(12-17)20-21(7,8)16(4,5)6/h13H,9-12H2,1-8H3
InChIKeyPLWXRGUWLVVXBG-UHFFFAOYSA-N
MW315.53 g/mol
LogP4.41
Rot. Bonds2

About tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate

tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate (PubChem CID 174041768) has the molecular formula C16H33NO3Si and a molecular weight of 315.53 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
PubChem CID174041768
Molecular FormulaC16H33NO3Si
Molecular Weight315.53 g/mol
Exact Mass315.22
IUPAC Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H33NO3Si/c1-15(2,3)19-14(18)17-11-9-10-13(12-17)20-21(7,8)16(4,5)6/h13H,9-12H2,1-8H3
InChIKeyPLWXRGUWLVVXBG-UHFFFAOYSA-N
XLogP4.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 54.41
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 (2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 145444317
tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate
CID 97109495
tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355
tert-butyl 3-(methylideneamino)oxypiperidine-1-carboxylate
CID 88575354
tert-butyl (3S)-3-prop-2-enoyloxypiperidine-1-carboxylate
CID 163505560
tert-butyl 3-acetyloxyazepane-1-carboxylate
CID 162415739
tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate
CID 66563853
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypiperazine-1-carboxylate
CID 162353748
tert-butyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 129407130
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
tert-butyl 6-[tert-butyl(dimethyl)silyl]oxy-4-(5-hydroxypyrimidin-2-yl)-1,4-diazepane-1-carboxylate
CID 153361698
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate (CID 174041768) is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
The InChIKey is PLWXRGUWLVVXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3Si/c1-15(2,3)19-14(18)17-11-9-10-13(12-17)20-21(7,8)16(4,5)6/h13H,9-12H2,1-8H3.
What are the key properties of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate?
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate has a molecular weight of 315.53 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 174041768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).