Home > Compound List > Compound details
162402-33-7 molecular structure
click picture or here to close

4-(4-methoxyphenoxy)piperidine

ChemBase ID: 20970
Molecular Formular: C12H17NO2
Molecular Mass: 207.26888
Monoisotopic Mass: 207.12592879
SMILES and InChIs

SMILES:
N1CCC(Oc2ccc(cc2)OC)CC1
Canonical SMILES:
COc1ccc(cc1)OC1CCNCC1
InChI:
InChI=1S/C12H17NO2/c1-14-10-2-4-11(5-3-10)15-12-6-8-13-9-7-12/h2-5,12-13H,6-9H2,1H3
InChIKey:
HRMYEAQYLDCUGG-UHFFFAOYSA-N

Cite this record

CBID:20970 http://www.chembase.cn/molecule-20970.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-methoxyphenoxy)piperidine
IUPAC Traditional name
4-(4-methoxyphenoxy)piperidine
Synonyms
4-(4-Methoxyphenoxy)piperidine
4-(4-Methoxyphenoxy)piperidine
4-(4-甲氧基苯氧基)哌啶
CAS Number
162402-33-7
MDL Number
MFCD08059670
PubChem SID
160984277
PubChem CID
3409233

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9057373  LogD (pH = 7.4) -1.0614187 
Log P 1.3016615  Molar Refractivity 59.1408 cm3
Polarizability 23.526157 Å3 Polar Surface Area 30.49 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
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 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
99% expand Show data source
Empirical Formula (Hill Notation)
C12H17NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00252 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com.
Legal Information
Product of ChemBridge Corp.

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