tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate

C20H41NO6SSi — CID 171613128

IUPACtert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(CCOS(C)(=O)=O)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H41NO6SSi/c1-19(2,3)26-18(22)21-13-10-11-16(15-21)17(12-14-25-28(7,23)24)27-29(8,9)20(4,5)6/h16-17H,10-15H2,1-9H3/t16-,17?/m1/s1
InChIKeyOGZVCIGNMHIBQS-TZHYSIJRSA-N
MW451.70 g/mol
LogP4.39
Rot. Bonds7

About tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate (PubChem CID 171613128) has the molecular formula C20H41NO6SSi and a molecular weight of 451.70 g/mol. Its IUPAC name is tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate
PubChem CID171613128
Molecular FormulaC20H41NO6SSi
Molecular Weight451.70 g/mol
Exact Mass451.24
IUPAC Nametert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(CCOS(C)(=O)=O)O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H41NO6SSi/c1-19(2,3)26-18(22)21-13-10-11-16(15-21)17(12-14-25-28(7,23)24)27-29(8,9)20(4,5)6/h16-17H,10-15H2,1-9H3/t16-,17?/m1/s1
InChIKeyOGZVCIGNMHIBQS-TZHYSIJRSA-N
XLogP4.39
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.70
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]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

tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]piperidine-1-carboxylate
CID 171613411
tert-butyl 3-[2-methylsulfonyloxyethoxy(phenyl)methyl]piperidine-1-carboxylate
CID 58011497
tert-butyl 3-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 22647269
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768
tert-butyl 3-[1-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 142582802
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205
tert-butyl 4-(2-methylsulfonyloxyethyl)piperidine-1-carboxylate;methanesulfonyl chloride
CID 175544616
tert-butyl (3S)-3-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxylate
CID 95566444
tert-butyl 3-(1-oxopropan-2-yl)piperidine-1-carboxylate
CID 83912646
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl (3R)-3-[(1R)-3-hydroxy-1-(methylamino)propyl]piperidine-1-carboxylate
CID 97167731
3-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 83489023

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate (CID 171613128) is tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](C(CCOS(C)(=O)=O)O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate?
The InChIKey is OGZVCIGNMHIBQS-TZHYSIJRSA-N. The full InChI is InChI=1S/C20H41NO6SSi/c1-19(2,3)26-18(22)21-13-10-11-16(15-21)17(12-14-25-28(7,23)24)27-29(8,9)20(4,5)6/h16-17H,10-15H2,1-9H3/t16-,17?/m1/s1.
What are the key properties of tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate has a molecular weight of 451.70 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfonyloxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 171613128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).