tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane)

C41H90N2O10SSi2 — CID 141485998

IUPACtert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane)
SMILESCC(C)(C)OC(=O)N1CC(O)CC(O[Si](C)(C)C(C)(C)C)C1.CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](OS(C)(=O)=O)CN(C(=O)O)C1.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/C16H33NO4Si.C13H27NO6SSi.3C4H10/c1-15(2,3)20-14(19)17-10-12(18)9-13(11-17)21-22(7,8)16(4,5)6;1-13(2,3)22(5,6)20-11-7-10(19-21(4,17)18)8-14(9-11)12(15)16;3*1-4(2)3/h12-13,18H,9-11H2,1-8H3;10-11H,7-9H2,1-6H3,(H,15,16);3*4H,1-3H3/t;10-,11+;;;/m.0.../s1
InChIKeyBONHCGFZLLRCIG-UCDRNPDYSA-N
MW859.41 g/mol
LogP10.47
Rot. Bonds6

About tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane)

tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane) (PubChem CID 141485998) has the molecular formula C41H90N2O10SSi2 and a molecular weight of 859.41 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane).

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane)
PubChem CID141485998
Molecular FormulaC41H90N2O10SSi2
Molecular Weight859.41 g/mol
Exact Mass858.59
IUPAC Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane)
SMILESCC(C)(C)OC(=O)N1CC(O)CC(O[Si](C)(C)C(C)(C)C)C1.CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](OS(C)(=O)=O)CN(C(=O)O)C1.CC(C)C.CC(C)C.CC(C)C
InChIInChI=1S/C16H33NO4Si.C13H27NO6SSi.3C4H10/c1-15(2,3)20-14(19)17-10-12(18)9-13(11-17)21-22(7,8)16(4,5)6;1-13(2,3)22(5,6)20-11-7-10(19-21(4,17)18)8-14(9-11)12(15)16;3*1-4(2)3/h12-13,18H,9-11H2,1-8H3;10-11H,7-9H2,1-6H3,(H,15,16);3*4H,1-3H3/t;10-,11+;;;/m.0.../s1
InChIKeyBONHCGFZLLRCIG-UCDRNPDYSA-N
XLogP10.47
TPSA152.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.41
LogP ≤ 510.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-methylsulfonyloxypyrrolidine-1-carboxylate
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CID 135017355
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768
tert-butyl (7R,8aS)-4-benzhydryl-7-[tert-butyl(dimethyl)silyl]oxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 86589638
tert-butyl 3-amino-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 171756063
(2R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonyloxypyrrolidine-2-carboxylic acid
CID 95381249
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonyloxypyrrolidine-2-carboxylic acid
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(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methylpiperidin-3-ol
CID 100975570
(2R,3R)-3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 90091054
tert-butyl 3-amino-5-hydroxypiperidine-1-carboxylate
CID 83680140
tert-butyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate
CID 124510092
tert-butyl (3R,5S)-3-fluoro-5-hydroxypiperidine-1-carboxylate
CID 154575288

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane)?
The IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane) (CID 141485998) is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane).
What is the SMILES notation for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane)?
The canonical SMILES for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane) is CC(C)(C)OC(=O)N1CC(O)CC(O[Si](C)(C)C(C)(C)C)C1.CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](OS(C)(=O)=O)CN(C(=O)O)C1.CC(C)C.CC(C)C.CC(C)C.
What is the InChIKey of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane)?
The InChIKey is BONHCGFZLLRCIG-UCDRNPDYSA-N. The full InChI is InChI=1S/C16H33NO4Si.C13H27NO6SSi.3C4H10/c1-15(2,3)20-14(19)17-10-12(18)9-13(11-17)21-22(7,8)16(4,5)6;1-13(2,3)22(5,6)20-11-7-10(19-21(4,17)18)8-14(9-11)12(15)16;3*1-4(2)3/h12-13,18H,9-11H2,1-8H3;10-11H,7-9H2,1-6H3,(H,15,16);3*4H,1-3H3/t;10-,11+;;;/m.0.../s1.
What are the key properties of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane)?
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane) has a molecular weight of 859.41 g/mol, XLogP of 10.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypiperidine-1-carboxylate;(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylsulfonyloxypiperidine-1-carboxylic acid;tris(2-methylpropane) is sourced from PubChem (CID 141485998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).