tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate

C25H35NO3Si — CID 166022730

IUPACtert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)C[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO3Si/c1-25(2,3)29-24(28)26-18-12-11-17-22(26)23(27)19-30(4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,22-23,27H,11-12,17-19H2,1-4H3/t22-,23-/m0/s1
InChIKeyLEIVQNVYPBBLRB-GOTSBHOMSA-N
MW425.65 g/mol
LogP4.03
Rot. Bonds5

About tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate (PubChem CID 166022730) has the molecular formula C25H35NO3Si and a molecular weight of 425.65 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate
PubChem CID166022730
Molecular FormulaC25H35NO3Si
Molecular Weight425.65 g/mol
Exact Mass425.24
IUPAC Nametert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)C[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35NO3Si/c1-25(2,3)29-24(28)26-18-12-11-17-22(26)23(27)19-30(4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,22-23,27H,11-12,17-19H2,1-4H3/t22-,23-/m0/s1
InChIKeyLEIVQNVYPBBLRB-GOTSBHOMSA-N
XLogP4.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.65
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate (CID 166022730) is tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)C[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate?
The InChIKey is LEIVQNVYPBBLRB-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H35NO3Si/c1-25(2,3)29-24(28)26-18-12-11-17-22(26)23(27)19-30(4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,22-23,27H,11-12,17-19H2,1-4H3/t22-,23-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate has a molecular weight of 425.65 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(1R)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 166022730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).