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1245646-10-9 molecular structure
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tert-butyl 4-hydroxy-2-oxopiperidine-1-carboxylate

ChemBase ID: 68459
Molecular Formular: C10H17NO4
Molecular Mass: 215.24628
Monoisotopic Mass: 215.11575803
SMILES and InChIs

SMILES:
N1(C(=O)CC(CC1)O)C(=O)OC(C)(C)C
Canonical SMILES:
OC1CCN(C(=O)C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(12)6-8(11)13/h7,12H,4-6H2,1-3H3
InChIKey:
KCUXWAQHQHPYFT-UHFFFAOYSA-N

Cite this record

CBID:68459 http://www.chembase.cn/molecule-68459.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-hydroxy-2-oxopiperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-hydroxy-2-oxopiperidine-1-carboxylate
Synonyms
tert-Butyl 4-hydroxy-2-oxopiperidine-1-carboxylate
CAS Number
1245646-10-9
MDL Number
MFCD16659601
PubChem SID
162034190
PubChem CID
56965728

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 56965728 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.993296  H Acceptors
H Donor LogD (pH = 5.5) 0.22321339 
LogD (pH = 7.4) 0.22321337  Log P 0.22321339 
Molar Refractivity 53.3259 cm3 Polarizability 21.102367 Å3
Polar Surface Area 66.84 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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