tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate

C12H23NO2 — CID 144878026

IUPACtert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
SMILESCC1CCC[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9-7-6-8-10(2)13(9)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3/t9-,10?/m1/s1
InChIKeyXFHDOSGLKQJYLP-YHMJZVADSA-N
MW213.32 g/mol
LogP3.18
Rot. Bonds

About tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate

tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate (PubChem CID 144878026) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
PubChem CID144878026
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
SMILESCC1CCC[C@@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9-7-6-8-10(2)13(9)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3/t9-,10?/m1/s1
InChIKeyXFHDOSGLKQJYLP-YHMJZVADSA-N
XLogP3.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-methyl-6-(2-oxocyclopentyl)piperidine-1-carboxylate
CID 116685241
tert-butyl (2R,6S)-2-methyl-6-propylpiperidine-1-carboxylate
CID 10900787
tert-butyl 2-methyl-6-(2-oxocycloheptyl)piperidine-1-carboxylate
CID 104892473
tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate
CID 90048538
tert-butyl 8-azabicyclo[3.2.1]octane-8-carboxylate
CID 69350476
tert-butyl 2-methyl-6-(5-methyl-2-oxocyclohexyl)piperidine-1-carboxylate
CID 104892476
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 169176648
(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 57249393
tert-butyl 2-(2-cyclohexyl-2-oxoethyl)-6-methylpiperidine-1-carboxylate
CID 104892491
tert-butyl (6S)-2-methyl-6-(4-methylpentyl)piperidine-1-carboxylate
CID 70015662
tert-butyl 2-methyl-6-[2-(1-methylcyclopropyl)-2-oxoethyl]piperidine-1-carboxylate
CID 116685387

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate (CID 144878026) is tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate is CC1CCC[C@@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is XFHDOSGLKQJYLP-YHMJZVADSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-7-6-8-10(2)13(9)11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3/t9-,10?/m1/s1.
What are the key properties of tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate?
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 144878026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).