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134441-61-5 molecular structure
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tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate

ChemBase ID: 69580
Molecular Formular: C11H21NO3
Molecular Mass: 215.28934
Monoisotopic Mass: 215.15214354
SMILES and InChIs

SMILES:
N1([C@H](CCCC1)CO)C(=O)OC(C)(C)C
Canonical SMILES:
OC[C@H]1CCCCN1C(=O)OC(C)(C)C
InChI:
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
InChIKey:
PZTAGFCBNDBBFZ-SECBINFHSA-N

Cite this record

CBID:69580 http://www.chembase.cn/molecule-69580.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate
Synonyms
(R)-N-Boc-piperidine-2-methanol
CAS Number
134441-61-5
MDL Number
MFCD04973120
PubChem SID
162035306
PubChem CID
6933953

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6933953 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.090304  H Acceptors
H Donor LogD (pH = 5.5) 1.3103458 
LogD (pH = 7.4) 1.3103458  Log P 1.3103458 
Molar Refractivity 57.793 cm3 Polarizability 22.806097 Å3
Polar Surface Area 49.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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