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1227465-48-6 molecular structure
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4-ethylpiperidine-4-carboxylic acid

ChemBase ID: 308358
Molecular Formular: C8H15NO2
Molecular Mass: 157.2102
Monoisotopic Mass: 157.11027873
SMILES and InChIs

SMILES:
C(=O)(C1(CC)CCNCC1)O
Canonical SMILES:
CCC1(CCNCC1)C(=O)O
InChI:
InChI=1S/C8H15NO2/c1-2-8(7(10)11)3-5-9-6-4-8/h9H,2-6H2,1H3,(H,10,11)
InChIKey:
KXKKAGIATNDDON-UHFFFAOYSA-N

Cite this record

CBID:308358 http://www.chembase.cn/molecule-308358.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethylpiperidine-4-carboxylic acid
IUPAC Traditional name
4-ethylpiperidine-4-carboxylic acid
Synonyms
4-ethyl-4-piperidinecarboxylic acid
CAS Number
1227465-48-6
MDL Number
MFCD16556109

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4029136 external link Add to cart
Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6203324  LogD (pH = 7.4) -1.5912971 
Log P -1.5916556  Molar Refractivity 42.1773 cm3
Polarizability 16.785397 Å3 Polar Surface Area 49.33 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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