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118667-62-2 molecular structure
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tert-butyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

ChemBase ID: 806579
Molecular Formular: C14H25NO4
Molecular Mass: 271.3526
Monoisotopic Mass: 271.17835829
SMILES and InChIs

SMILES:
C1CCN(CC1CC(=O)OCC)C(=O)OC(C)(C)C
Canonical SMILES:
CCOC(=O)CC1CCCN(C1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C14H25NO4/c1-5-18-12(16)9-11-7-6-8-15(10-11)13(17)19-14(2,3)4/h11H,5-10H2,1-4H3
InChIKey:
ZEVFPIITLLXQFI-UHFFFAOYSA-N

Cite this record

CBID:806579 http://www.chembase.cn/molecule-806579.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
Synonyms
TERT-BUTYL 3-(2-ETHOXY-2-OXOETHYL)PIPERIDINE-1-CARBOXYLATE
CAS Number
118667-62-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24305 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24305 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9326825  LogD (pH = 7.4) 1.9326825 
Log P 1.9326825  Molar Refractivity 72.0862 cm3
Polarizability 28.487598 Å3 Polar Surface Area 55.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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