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1018453-54-7 molecular structure
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(6R)-6-ethylpiperidin-2-one

ChemBase ID: 795743
Molecular Formular: C7H13NO
Molecular Mass: 127.18422
Monoisotopic Mass: 127.09971404
SMILES and InChIs

SMILES:
C1C[C@H](NC(=O)C1)CC
Canonical SMILES:
CC[C@@H]1CCCC(=O)N1
InChI:
InChI=1S/C7H13NO/c1-2-6-4-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)/t6-/m1/s1
InChIKey:
PAHMYIHLZQRVHU-ZCFIWIBFSA-N

Cite this record

CBID:795743 http://www.chembase.cn/molecule-795743.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6R)-6-ethylpiperidin-2-one
IUPAC Traditional name
(6R)-6-ethylpiperidin-2-one
Synonyms
(R)-6-Ethylpiperidin-2-one
CAS Number
1018453-54-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O373 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O373 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.948095  H Acceptors
H Donor LogD (pH = 5.5) 0.8040567 
LogD (pH = 7.4) 0.80405676  Log P 0.80405676 
Molar Refractivity 35.8017 cm3 Polarizability 14.103091 Å3
Polar Surface Area 29.1 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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