Home > Compound List > Compound details
405062-73-9 molecular structure
click picture or here to close

3-(3-methoxyphenoxymethyl)piperidine

ChemBase ID: 17126
Molecular Formular: C13H19NO2
Molecular Mass: 221.29546
Monoisotopic Mass: 221.14157885
SMILES and InChIs

SMILES:
c1(cc(ccc1)OC)OCC1CCCNC1
Canonical SMILES:
COc1cccc(c1)OCC1CCCNC1
InChI:
InChI=1S/C13H19NO2/c1-15-12-5-2-6-13(8-12)16-10-11-4-3-7-14-9-11/h2,5-6,8,11,14H,3-4,7,9-10H2,1H3
InChIKey:
XUBAZFXZDGWJEM-UHFFFAOYSA-N

Cite this record

CBID:17126 http://www.chembase.cn/molecule-17126.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3-methoxyphenoxymethyl)piperidine
IUPAC Traditional name
3-(3-methoxyphenoxymethyl)piperidine
Synonyms
3-[(3-methoxyphenoxy)methyl]piperidine
3-(3-Methoxy-phenoxymethyl)-piperidine
CAS Number
405062-73-9
MDL Number
MFCD07643220
PubChem SID
160980433
PubChem CID
6484137

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6484137 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4180683  LogD (pH = 7.4) -0.76048106 
Log P 1.803819  Molar Refractivity 63.86 cm3
Polarizability 25.370636 Å3 Polar Surface Area 30.49 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