tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate

C20H41NO3Si — CID 11025097

IUPACtert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
SMILESCC(C)[Si](O[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C20H41NO3Si/c1-14(2)25(15(3)4,16(5)6)24-18-12-11-13-21(17(18)7)19(22)23-20(8,9)10/h14-18H,11-13H2,1-10H3/t17-,18+/m0/s1
InChIKeyZUYGSTXVYFRFGY-ZWKOTPCHSA-N
MW371.64 g/mol
LogP5.97
Rot. Bonds5

About tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate

tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate (PubChem CID 11025097) has the molecular formula C20H41NO3Si and a molecular weight of 371.64 g/mol. Its IUPAC name is tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
PubChem CID11025097
Molecular FormulaC20H41NO3Si
Molecular Weight371.64 g/mol
Exact Mass371.29
IUPAC Nametert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate
SMILESCC(C)[Si](O[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C20H41NO3Si/c1-14(2)25(15(3)4,16(5)6)24-18-12-11-13-21(17(18)7)19(22)23-20(8,9)10/h14-18H,11-13H2,1-10H3/t17-,18+/m0/s1
InChIKeyZUYGSTXVYFRFGY-ZWKOTPCHSA-N
XLogP5.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.64
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate (CID 11025097) is tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate is CC(C)[Si](O[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
The InChIKey is ZUYGSTXVYFRFGY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H41NO3Si/c1-14(2)25(15(3)4,16(5)6)24-18-12-11-13-21(17(18)7)19(22)23-20(8,9)10/h14-18H,11-13H2,1-10H3/t17-,18+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate?
tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate has a molecular weight of 371.64 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxypiperidine-1-carboxylate is sourced from PubChem (CID 11025097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).