tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate

C26H38N2O3Si — CID 145367521

IUPACtert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C26H38N2O3Si/c1-25(2,3)30-24(29)28-18-17-22(27)23(19-28)31-32(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-23H,17-19,27H2,1-6H3
InChIKeyMFNXDULNCSUTJI-UHFFFAOYSA-N
MW454.69 g/mol
LogP3.90
Rot. Bonds4

About tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate

tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate (PubChem CID 145367521) has the molecular formula C26H38N2O3Si and a molecular weight of 454.69 g/mol. Its IUPAC name is tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate
PubChem CID145367521
Molecular FormulaC26H38N2O3Si
Molecular Weight454.69 g/mol
Exact Mass454.27
IUPAC Nametert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C26H38N2O3Si/c1-25(2,3)30-24(29)28-18-17-22(27)23(19-28)31-32(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-23H,17-19,27H2,1-6H3
InChIKeyMFNXDULNCSUTJI-UHFFFAOYSA-N
XLogP3.90
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.69
LogP ≤ 53.90
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

trans-4-amino-1-tert-butoxycarbonyl(2S)-(tert-butyldiphenylsilyloxy)methylpyrrolidine
CID 69332987
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-iodobutan-2-yl]carbamate
CID 69359165
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
tert-butyl N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2,2,2-trifluoroacetyl)amino]butyl]-N-propan-2-ylcarbamate
CID 58006786
tert-butyl N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[methyl-(2,2,2-trifluoroacetyl)amino]butyl]-N-propan-2-ylcarbamate
CID 58006837
tert-butyl 4-[(2R)-2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 58080117
tert-butyl 4-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 58080217
Tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 66723636
tert-butyl N-[(1S,2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamate
CID 123317914
tert-butyl [(1S*,2S*,4R*)-4-{[tert-butyl(diphenyl)silyl]oxy}-2-fluorocyclohexyl]carbamate
CID 131732234
tert-butyl N-[(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexyl]carbamate
CID 141291387
Butyl 4-[2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 141325288

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate (CID 145367521) is tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)C(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
The InChIKey is MFNXDULNCSUTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O3Si/c1-25(2,3)30-24(29)28-18-17-22(27)23(19-28)31-32(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,22-23H,17-19,27H2,1-6H3.
What are the key properties of tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate?
tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate has a molecular weight of 454.69 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 145367521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).