Home > Compound List > Compound details
1072944-50-3 molecular structure
click picture or here to close

4-(3-bromophenoxy)piperidine hydrochloride

ChemBase ID: 20955
Molecular Formular: C11H15BrClNO
Molecular Mass: 292.5999
Monoisotopic Mass: 291.00255379
SMILES and InChIs

SMILES:
N1CCC(Oc2cccc(c2)Br)CC1.Cl
Canonical SMILES:
Brc1cccc(c1)OC1CCNCC1.Cl
InChI:
InChI=1S/C11H14BrNO.ClH/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;/h1-3,8,10,13H,4-7H2;1H
InChIKey:
HYIUFMKPWZFLKE-UHFFFAOYSA-N

Cite this record

CBID:20955 http://www.chembase.cn/molecule-20955.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-bromophenoxy)piperidine hydrochloride
IUPAC Traditional name
4-(3-bromophenoxy)piperidine hydrochloride
Synonyms
3-Bromophenyl 4-piperidinyl ether hydrochloride
CAS Number
1072944-50-3
MDL Number
MFCD09879219
PubChem SID
160984262
PubChem CID
45075444

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
023281 external link Add to cart Please log in.
Data Source Data ID
PubChem 45075444 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9793133  LogD (pH = 7.4) -0.13499475 
Log P 2.2280853  Molar Refractivity 60.3004 cm3
Polarizability 23.74952 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle