tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate

C11H21NO3 — CID 6933953

IUPACtert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CO
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyPZTAGFCBNDBBFZ-SECBINFHSA-N
MW215.29 g/mol
LogP1.77
Rot. Bonds1

About tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate

tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate (PubChem CID 6933953) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate
PubChem CID6933953
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CO
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13/h9,13H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyPZTAGFCBNDBBFZ-SECBINFHSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97357242
Tert-butyl 5-hydroxy-2-methylpiperidine-1-carboxylate
CID 68434339
N-Boc-piperidine-2-methanol
CID 2763853
tert-butyl (2R)-2-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 7062400
1,1-Dimethylethyl (2R)-2-(2-hydroxyethyl)-1-piperidinecarboxylate
CID 1514244

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate (CID 6933953) is tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1CO.
What is the InChIKey of tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate?
The InChIKey is PZTAGFCBNDBBFZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13/h9,13H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate?
tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 6933953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).