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229009-42-1 molecular structure
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[4-(piperidin-1-yl)phenyl]boronic acid hydrochloride

ChemBase ID: 813332
Molecular Formular: C11H17BClNO2
Molecular Mass: 241.52218
Monoisotopic Mass: 241.10408687
SMILES and InChIs

SMILES:
Cl.B(O)(O)c1ccc(cc1)N1CCCCC1
Canonical SMILES:
OB(c1ccc(cc1)N1CCCCC1)O.Cl
InChI:
InChI=1S/C11H16BNO2.ClH/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13;/h4-7,14-15H,1-3,8-9H2;1H
InChIKey:
XJTAVEWPXXNWGK-UHFFFAOYSA-N

Cite this record

CBID:813332 http://www.chembase.cn/molecule-813332.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(piperidin-1-yl)phenyl]boronic acid hydrochloride
IUPAC Traditional name
4-(piperidin-1-yl)phenylboronic acid hydrochloride
Synonyms
4-(PIPERIDINO)PHENYLBORONIC ACID HCL
CAS Number
229009-42-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34706 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34706 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.085862  H Acceptors
H Donor LogD (pH = 5.5) 2.6168365 
LogD (pH = 7.4) 2.6171663  Log P 2.6261 
Molar Refractivity 57.1741 cm3 Polarizability 23.150936 Å3
Polar Surface Area 43.7 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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