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

C11H21NO3 — CID 18653318

IUPACtert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyRCXJVQLRZJXWNM-BDAKNGLRSA-N
MW215.29 g/mol
LogP1.77
Rot. Bonds

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

tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate (PubChem CID 18653318) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
PubChem CID18653318
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyRCXJVQLRZJXWNM-BDAKNGLRSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-hydroxy-2-methylpiperidine-1-carboxylate;tert-butyl 2-methyl-4-oxopiperidine-1-carboxylate
CID 160752889
tert-butyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 77230933
tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
CID 102268017
tert-butyl (2S)-4-iodo-2-methylpiperidine-1-carboxylate
CID 175815373
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl (2R,4S)-4-ethynyl-2-methylpiperidine-1-carboxylate
CID 125425976
tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide
CID 159053694
tert-butyl (2R)-4-cyano-2-methylpiperidine-1-carboxylate
CID 155905122
1-O-tert-butyl 2-O-methyl (2R,4S)-4-hydroxypiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
CID 172878152
tert-butyl (2S,4S)-2,4-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 165101492
tert-butyl 4-hydroxy-2-(methylcarbamoyl)piperidine-1-carboxylate
CID 67539858
CID 159671594
CID 159671594

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate (CID 18653318) is tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate is C[C@@H]1C[C@@H](O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate?
The InChIKey is RCXJVQLRZJXWNM-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-7-9(13)5-6-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate?
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 18653318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).