ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate

C24H33NO3Si — CID 90040663

IUPACethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CCNC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO3Si/c1-5-27-23(26)21-16-17-25-18-22(21)28-29(24(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-22,25H,5,16-18H2,1-4H3/t21-,22-/m1/s1
InChIKeyYUQMHEMPHBSSSK-FGZHOGPDSA-N
MW411.62 g/mol
LogP3.10
Rot. Bonds6

About ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate

ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate (PubChem CID 90040663) has the molecular formula C24H33NO3Si and a molecular weight of 411.62 g/mol. Its IUPAC name is ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate
PubChem CID90040663
Molecular FormulaC24H33NO3Si
Molecular Weight411.62 g/mol
Exact Mass411.22
IUPAC Nameethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CCNC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO3Si/c1-5-27-23(26)21-16-17-25-18-22(21)28-29(24(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-22,25H,5,16-18H2,1-4H3/t21-,22-/m1/s1
InChIKeyYUQMHEMPHBSSSK-FGZHOGPDSA-N
XLogP3.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate?
The IUPAC name of ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate (CID 90040663) is ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate?
The canonical SMILES for ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate is CCOC(=O)[C@@H]1CCNC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate?
The InChIKey is YUQMHEMPHBSSSK-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H33NO3Si/c1-5-27-23(26)21-16-17-25-18-22(21)28-29(24(2,3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21-22,25H,5,16-18H2,1-4H3/t21-,22-/m1/s1.
What are the key properties of ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate?
ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate has a molecular weight of 411.62 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4R)-3-[tert-butyl(diphenyl)silyl]oxypiperidine-4-carboxylate is sourced from PubChem (CID 90040663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).