tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate

C12H23NO3 — CID 67823358

IUPACtert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(O)C[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-8-6-10(14)7-9(2)13(8)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3/t8-,9+,10?
InChIKeyRNQIRWQBYRTJPG-ULKQDVFKSA-N
MW229.32 g/mol
LogP2.16
Rot. Bonds

About tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate

tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate (PubChem CID 67823358) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
PubChem CID67823358
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(O)C[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-8-6-10(14)7-9(2)13(8)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3/t8-,9+,10?
InChIKeyRNQIRWQBYRTJPG-ULKQDVFKSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5S)-3-hydroxy-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 176763808
tert-butyl 2,4,6,8-tetramethyl-5-oxoazocane-1-carboxylate
CID 123266281
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
(2R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 130942964
tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 91885346
(2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 155904136
tert-butyl (5S)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 131632259
tert-butyl (5R)-2-hydroxy-5-methylpyrrolidine-1-carboxylate
CID 90048538
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate
CID 150912932
tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate
CID 166542546
tert-butyl (3S,5R)-3-fluoro-2-methoxy-5-methylpyrrolidine-1-carboxylate
CID 177126368

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate (CID 67823358) is tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate is C[C@@H]1CC(O)C[C@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is RNQIRWQBYRTJPG-ULKQDVFKSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8-6-10(14)7-9(2)13(8)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3/t8-,9+,10?.
What are the key properties of tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate?
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 67823358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).