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162104309 molecular structure
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ethyl 1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate

ChemBase ID: 72245
Molecular Formular: C13H23NO3
Molecular Mass: 241.32662
Monoisotopic Mass: 241.1677936
SMILES and InChIs

SMILES:
N1(C(=O)C(C)(C)C)CC(C(=O)OCC)CCC1
Canonical SMILES:
CCOC(=O)C1CCCN(C1)C(=O)C(C)(C)C
InChI:
InChI=1S/C13H23NO3/c1-5-17-11(15)10-7-6-8-14(9-10)12(16)13(2,3)4/h10H,5-9H2,1-4H3
InChIKey:
YTJFTNWYNSFBPL-UHFFFAOYSA-N

Cite this record

CBID:72245 http://www.chembase.cn/molecule-72245.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
IUPAC Traditional name
ethyl 1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
Synonyms
Ethyl 1-(2,2-dimethylpropanoyl)-piperidine-3-carboxylate
PubChem SID
162104309
PubChem CID
17368907

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 17368907 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9483169  LogD (pH = 7.4) 1.9483203 
Log P 1.9483204  Molar Refractivity 65.7073 cm3
Polarizability 25.933228 Å3 Polar Surface Area 46.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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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