tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate

C11H21NO3 — CID 97357242

IUPACtert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate
SMILESC[C@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8-5-6-9(13)7-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyMHIXYMAYESKVIK-IUCAKERBSA-N
MW215.29 g/mol
LogP1.77
Rot. Bonds

About tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate

tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate (PubChem CID 97357242) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate
PubChem CID97357242
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate
SMILESC[C@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-8-5-6-9(13)7-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyMHIXYMAYESKVIK-IUCAKERBSA-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

Icaridin
CID 125098
Tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 5103438
1-Boc-3-hydroxypiperidine
CID 545699
tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate
CID 1514399
tert-Butyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate
CID 6933954
(S)-1-N-Boc-piperidine-2-ethanol
CID 1514243
(R)-1-Boc-3-hydroxypiperidine
CID 1514398
tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate
CID 6933953
Tert-butyl 5-hydroxy-2-methylpiperidine-1-carboxylate
CID 68434339
Tert-butyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate
CID 73977783
N-Boc-piperidine-2-methanol
CID 2763853
1,1-Dimethylethyl (2R)-2-(2-hydroxyethyl)-1-piperidinecarboxylate
CID 1514244

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate (CID 97357242) is tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate is C[C@H]1CC[C@H](O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate?
The InChIKey is MHIXYMAYESKVIK-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-5-6-9(13)7-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate?
tert-butyl (2S,5S)-5-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 (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 97357242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).