Home > Compound List > Compound details
1159825-22-5 molecular structure
click picture or here to close

4-(bromomethyl)piperidine hydrochloride

ChemBase ID: 64015
Molecular Formular: C6H13BrClN
Molecular Mass: 214.53112
Monoisotopic Mass: 212.9919891
SMILES and InChIs

SMILES:
Cl.N1CCC(CBr)CC1
Canonical SMILES:
BrCC1CCNCC1.Cl
InChI:
InChI=1S/C6H12BrN.ClH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
InChIKey:
FJUZTCBWLKVGJY-UHFFFAOYSA-N

Cite this record

CBID:64015 http://www.chembase.cn/molecule-64015.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(bromomethyl)piperidine hydrochloride
IUPAC Traditional name
4-(bromomethyl)piperidine hydrochloride
Synonyms
4-(Bromomethyl)piperidine hydrochloride
CAS Number
1159825-22-5
MDL Number
MFCD09800401
PubChem SID
162029754
PubChem CID
46738168

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46738168 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1056623  LogD (pH = 7.4) -1.6478211 
Log P 1.125869  Molar Refractivity 39.2702 cm3
Polarizability 15.285396 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
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
98% 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