tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate

C19H39NO3Si — CID 163406222

IUPACtert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate
SMILESCCCC[Si](C)(C)OC[C@H]1CCCC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H39NO3Si/c1-9-10-14-24(7,8)22-15-16-12-11-13-19(5,6)20(16)17(21)23-18(2,3)4/h16H,9-15H2,1-8H3/t16-/m1/s1
InChIKeyAJSMTSVJMUBNOO-MRXNPFEDSA-N
MW357.61 g/mol
LogP5.58
Rot. Bonds6

About tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate

tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate (PubChem CID 163406222) has the molecular formula C19H39NO3Si and a molecular weight of 357.61 g/mol. Its IUPAC name is tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate
PubChem CID163406222
Molecular FormulaC19H39NO3Si
Molecular Weight357.61 g/mol
Exact Mass357.27
IUPAC Nametert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate
SMILESCCCC[Si](C)(C)OC[C@H]1CCCC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H39NO3Si/c1-9-10-14-24(7,8)22-15-16-12-11-13-19(5,6)20(16)17(21)23-18(2,3)4/h16H,9-15H2,1-8H3/t16-/m1/s1
InChIKeyAJSMTSVJMUBNOO-MRXNPFEDSA-N
XLogP5.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.61
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 5-(hydroxymethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 70949192
tert-butyl 5-(aminomethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 71112214
tert-butyl (5S)-5-(hydroxymethyl)-4-azaspiro[2.5]octane-4-carboxylate
CID 162341768
tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate
CID 66630657
tert-butyl (4S)-4-[(E)-3-butoxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 70331613
tert-butyl 4-[(3-methoxy-3-oxopropoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 146218256
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
tert-butyl 2-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate
CID 143813318
tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate
CID 102209671
tert-butyl 2-[[(4,4-dimethylcycloheptyl)amino]methyl]pyrrolidine-1-carboxylate
CID 107248940
tert-butyl 9,9-difluoro-1-(hydroxymethyl)-3-azabicyclo[3.3.1]nonane-3-carboxylate
CID 71305596
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate (CID 163406222) is tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate is CCCC[Si](C)(C)OC[C@H]1CCCC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate?
The InChIKey is AJSMTSVJMUBNOO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H39NO3Si/c1-9-10-14-24(7,8)22-15-16-12-11-13-19(5,6)20(16)17(21)23-18(2,3)4/h16H,9-15H2,1-8H3/t16-/m1/s1.
What are the key properties of tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate?
tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate has a molecular weight of 357.61 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6R)-6-[[butyl(dimethyl)silyl]oxymethyl]-2,2-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 163406222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).