benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate

C52H57NO7Si — CID 134850652

IUPACbenzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)[Si](OC[C@@H](O)C1[C@@H](OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H57NO7Si/c1-52(2,3)61(44-30-18-8-19-31-44,45-32-20-9-21-33-45)60-39-46(54)48-50(58-37-42-26-14-6-15-27-42)49(57-36-41-24-12-5-13-25-41)47(56-35-40-22-10-4-11-23-40)34-53(48)51(55)59-38-43-28-16-7-17-29-43/h4-33,46-50,54H,34-39H2,1-3H3/t46-,47?,48?,49?,50-/m1/s1
InChIKeyYHRAZGAZMRQEEQ-WUNCUVEBSA-N
MW836.11 g/mol
LogP8.70
Rot. Bonds17

About benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate

benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate (PubChem CID 134850652) has the molecular formula C52H57NO7Si and a molecular weight of 836.11 g/mol. Its IUPAC name is benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate
PubChem CID134850652
Molecular FormulaC52H57NO7Si
Molecular Weight836.11 g/mol
Exact Mass835.39
IUPAC Namebenzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)[Si](OC[C@@H](O)C1[C@@H](OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C52H57NO7Si/c1-52(2,3)61(44-30-18-8-19-31-44,45-32-20-9-21-33-45)60-39-46(54)48-50(58-37-42-26-14-6-15-27-42)49(57-36-41-24-12-5-13-25-41)47(56-35-40-22-10-4-11-23-40)34-53(48)51(55)59-38-43-28-16-7-17-29-43/h4-33,46-50,54H,34-39H2,1-3H3/t46-,47?,48?,49?,50-/m1/s1
InChIKeyYHRAZGAZMRQEEQ-WUNCUVEBSA-N
XLogP8.70
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.11
LogP ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate?
The IUPAC name of benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate (CID 134850652) is benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate is CC(C)(C)[Si](OC[C@@H](O)C1[C@@H](OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)CN1C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate?
The InChIKey is YHRAZGAZMRQEEQ-WUNCUVEBSA-N. The full InChI is InChI=1S/C52H57NO7Si/c1-52(2,3)61(44-30-18-8-19-31-44,45-32-20-9-21-33-45)60-39-46(54)48-50(58-37-42-26-14-6-15-27-42)49(57-36-41-24-12-5-13-25-41)47(56-35-40-22-10-4-11-23-40)34-53(48)51(55)59-38-43-28-16-7-17-29-43/h4-33,46-50,54H,34-39H2,1-3H3/t46-,47?,48?,49?,50-/m1/s1.
What are the key properties of benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate?
benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate has a molecular weight of 836.11 g/mol, XLogP of 8.70, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-2-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-3,4,5-tris(phenylmethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 134850652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).