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135716-09-5 molecular structure
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tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

ChemBase ID: 60593
Molecular Formular: C14H25NO4
Molecular Mass: 271.3526
Monoisotopic Mass: 271.17835829
SMILES and InChIs

SMILES:
C1N(CCC(C1)CC(=O)OCC)C(=O)OC(C)(C)C
Canonical SMILES:
CCOC(=O)CC1CCN(CC1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C14H25NO4/c1-5-18-12(16)10-11-6-8-15(9-7-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3
InChIKey:
PQEXLIRUMIRSAL-UHFFFAOYSA-N

Cite this record

CBID:60593 http://www.chembase.cn/molecule-60593.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
Synonyms
tert-Butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CAS Number
135716-09-5
MDL Number
MFCD08275143
PubChem SID
162026334
PubChem CID
9993342

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9993342 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8547287  LogD (pH = 7.4) 1.8547287 
Log P 1.8547287  Molar Refractivity 72.1632 cm3
Polarizability 28.487598 Å3 Polar Surface Area 55.84 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
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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