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144913-66-6 molecular structure
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methyl 4-hydroxypiperidine-2-carboxylate

ChemBase ID: 44696
Molecular Formular: C7H13NO3
Molecular Mass: 159.18302
Monoisotopic Mass: 159.08954328
SMILES and InChIs

SMILES:
C(=O)(C1NCCC(C1)O)OC
Canonical SMILES:
COC(=O)C1CC(O)CCN1
InChI:
InChI=1S/C7H13NO3/c1-11-7(10)6-4-5(9)2-3-8-6/h5-6,8-9H,2-4H2,1H3
InChIKey:
XYDFSCGFCFYWNY-UHFFFAOYSA-N

Cite this record

CBID:44696 http://www.chembase.cn/molecule-44696.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 4-hydroxypiperidine-2-carboxylate
IUPAC Traditional name
methyl 4-hydroxypiperidine-2-carboxylate
Synonyms
cis-Methyl 4-hydroxy-2-piperidinecarboxylate
CAS Number
144913-66-6
MDL Number
MFCD09152760
PubChem SID
162049459
PubChem CID
10103419

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
048159 external link Add to cart Please log in.
Data Source Data ID
PubChem 10103419 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.148793  H Acceptors
H Donor LogD (pH = 5.5) -1.6158826 
LogD (pH = 7.4) -1.0539205  Log P -1.0389853 
Molar Refractivity 39.0167 cm3 Polarizability 15.858429 Å3
Polar Surface Area 58.56 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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