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30727-20-9 molecular structure
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(1-ethylpiperidin-2-yl)methanol

ChemBase ID: 241617
Molecular Formular: C8H17NO
Molecular Mass: 143.22668
Monoisotopic Mass: 143.13101417
SMILES and InChIs

SMILES:
N1(C(CO)CCCC1)CC
Canonical SMILES:
CCN1CCCCC1CO
InChI:
InChI=1S/C8H17NO/c1-2-9-6-4-3-5-8(9)7-10/h8,10H,2-7H2,1H3
InChIKey:
QDCVURQLJNIQBY-UHFFFAOYSA-N

Cite this record

CBID:241617 http://www.chembase.cn/molecule-241617.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1-ethylpiperidin-2-yl)methanol
IUPAC Traditional name
(1-ethylpiperidin-2-yl)methanol
Synonyms
(1-ethylpiperidin-2-yl)methanol
(1-ethyl-2-piperidinyl)methanol
CAS Number
30727-20-9
MDL Number
MFCD11974861
PubChem SID
164297527
PubChem CID
21702825

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21702825 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.1127825  H Acceptors
H Donor LogD (pH = 5.5) -2.6620693 
LogD (pH = 7.4) -1.5489197  Log P 0.7670086 
Molar Refractivity 42.8412 cm3 Polarizability 16.88203 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.325 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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