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

C25H35NO3Si — CID 166022734

IUPACtert-butyl (2S)-2-[(1S)-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-XZOQPEGZSA-N
MW425.65 g/mol
LogP4.03
Rot. Bonds5

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

tert-butyl (2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate (PubChem CID 166022734) has the molecular formula C25H35NO3Si and a molecular weight of 425.65 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate
PubChem CID166022734
Molecular FormulaC25H35NO3Si
Molecular Weight425.65 g/mol
Exact Mass425.24
IUPAC Nametert-butyl (2S)-2-[(1S)-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-XZOQPEGZSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
CID 58913468
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
CID 75952896
tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate
CID 103724645
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
CID 23091770
tert-butyl (2S)-2-[(1S)-1-hydroxybut-3-ynyl]pyrrolidine-1-carboxylate
CID 101001373
tert-butyl (2S)-2-[(1R)-1,3-dihydroxypropyl]piperidine-1-carboxylate
CID 97173185
tert-butyl (2S)-2-[(1S)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carboxylate
CID 11067588
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716
(2S)-2-(4-methylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]acetic acid
CID 169028130
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate (CID 166022734) is tert-butyl (2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(1S)-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-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate?
The InChIKey is LEIVQNVYPBBLRB-XZOQPEGZSA-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-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(1S)-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-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 166022734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).