Home > Compound List > Compound details
80980-89-8 molecular structure
click picture or here to close

4-(4-bromophenyl)piperidine

ChemBase ID: 34534
Molecular Formular: C11H14BrN
Molecular Mass: 240.13956
Monoisotopic Mass: 239.03096145
SMILES and InChIs

SMILES:
c1(ccc(cc1)C1CCNCC1)Br
Canonical SMILES:
Brc1ccc(cc1)C1CCNCC1
InChI:
InChI=1S/C11H14BrN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2
InChIKey:
ZKABWLFDCJKQRE-UHFFFAOYSA-N

Cite this record

CBID:34534 http://www.chembase.cn/molecule-34534.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-bromophenyl)piperidine
IUPAC Traditional name
4-(4-bromophenyl)piperidine
Synonyms
4-(4-Bromophenyl)piperidine
1-(4-Bromophenyl)piperidine
4-(4-Bromo-phenyl)-piperidine
CAS Number
80980-89-8
22148-20-5
MDL Number
MFCD03426370
MFCD04112533
PubChem SID
160997841
PubChem CID
2757159

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.37478992  LogD (pH = 7.4) 0.28335318 
Log P 2.8470633  Molar Refractivity 59.1018 cm3
Polarizability 22.951576 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95+% expand Show data source
97% 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