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162103692 molecular structure
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ethyl 2-(piperidin-1-yl)propanoate

ChemBase ID: 71734
Molecular Formular: C10H19NO2
Molecular Mass: 185.26336
Monoisotopic Mass: 185.14157885
SMILES and InChIs

SMILES:
C1CN(CCC1)C(C)C(=O)OCC
Canonical SMILES:
CCOC(=O)C(N1CCCCC1)C
InChI:
InChI=1S/C10H19NO2/c1-3-13-10(12)9(2)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3
InChIKey:
ITYAIFQYIIUEEY-UHFFFAOYSA-N

Cite this record

CBID:71734 http://www.chembase.cn/molecule-71734.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(piperidin-1-yl)propanoate
IUPAC Traditional name
ethyl 2-(piperidin-1-yl)propanoate
Synonyms
Ethyl 2-piperidin-1-ylpropanoate
PubChem SID
162103692
PubChem CID
3807039

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
077356 external link Add to cart Please log in.
Data Source Data ID
PubChem 3807039 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 1.5899851  Molar Refractivity 52.2263 cm3
Polarizability 20.710838 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -0.28080493  LogD (pH = 7.4) 1.3013122 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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