tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate

C33H49NO6Si — CID 178107522

IUPACtert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)O[C@]1(C)CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C33H49NO6Si/c1-30(2,3)38-28(35)34-24-33(10,40-29(36)39-31(4,5)6)22-21-25(34)23-37-41(32(7,8)9,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,25H,21-24H2,1-10H3/t25-,33-/m1/s1
InChIKeyHUIJQPPPDLMHMN-INJOXJOKSA-N
MW583.84 g/mol
LogP6.67
Rot. Bonds6

About tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate

tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate (PubChem CID 178107522) has the molecular formula C33H49NO6Si and a molecular weight of 583.84 g/mol. Its IUPAC name is tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate
PubChem CID178107522
Molecular FormulaC33H49NO6Si
Molecular Weight583.84 g/mol
Exact Mass583.33
IUPAC Nametert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)O[C@]1(C)CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C33H49NO6Si/c1-30(2,3)38-28(35)34-24-33(10,40-29(36)39-31(4,5)6)22-21-25(34)23-37-41(32(7,8)9,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,25H,21-24H2,1-10H3/t25-,33-/m1/s1
InChIKeyHUIJQPPPDLMHMN-INJOXJOKSA-N
XLogP6.67
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.84
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate (CID 178107522) is tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)O[C@]1(C)CC[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate?
The InChIKey is HUIJQPPPDLMHMN-INJOXJOKSA-N. The full InChI is InChI=1S/C33H49NO6Si/c1-30(2,3)38-28(35)34-24-33(10,40-29(36)39-31(4,5)6)22-21-25(34)23-37-41(32(7,8)9,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,25H,21-24H2,1-10H3/t25-,33-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate?
tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate has a molecular weight of 583.84 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]piperidine-1-carboxylate is sourced from PubChem (CID 178107522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).