ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate

C24H33NO3Si — CID 90058688

IUPACethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CCNC[C@H]1CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO3Si/c1-4-28-23(26)22-15-16-25-18-19(22)17-24(2,3)29(27,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22,25,27H,4,15-18H2,1-3H3/t19-,22-/m1/s1
InChIKeyZLMYMFSENHTZBF-DENIHFKCSA-N
MW411.62 g/mol
LogP2.70
Rot. Bonds7

About ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate

ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate (PubChem CID 90058688) has the molecular formula C24H33NO3Si and a molecular weight of 411.62 g/mol. Its IUPAC name is ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate
PubChem CID90058688
Molecular FormulaC24H33NO3Si
Molecular Weight411.62 g/mol
Exact Mass411.22
IUPAC Nameethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CCNC[C@H]1CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO3Si/c1-4-28-23(26)22-15-16-25-18-19(22)17-24(2,3)29(27,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22,25,27H,4,15-18H2,1-3H3/t19-,22-/m1/s1
InChIKeyZLMYMFSENHTZBF-DENIHFKCSA-N
XLogP2.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.62
LogP ≤ 52.70
H-Bond Donors ≤ 52
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-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate?
The IUPAC name of ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate (CID 90058688) is ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate is CCOC(=O)[C@@H]1CCNC[C@H]1CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate?
The InChIKey is ZLMYMFSENHTZBF-DENIHFKCSA-N. The full InChI is InChI=1S/C24H33NO3Si/c1-4-28-23(26)22-15-16-25-18-19(22)17-24(2,3)29(27,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22,25,27H,4,15-18H2,1-3H3/t19-,22-/m1/s1.
What are the key properties of ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate?
ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate has a molecular weight of 411.62 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4R)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]piperidine-4-carboxylate is sourced from PubChem (CID 90058688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).