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162402-37-1 molecular structure
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4-(3-methoxyphenoxy)piperidine

ChemBase ID: 20960
Molecular Formular: C12H17NO2
Molecular Mass: 207.26888
Monoisotopic Mass: 207.12592879
SMILES and InChIs

SMILES:
N1CCC(Oc2cc(OC)ccc2)CC1
Canonical SMILES:
COc1cccc(c1)OC1CCNCC1
InChI:
InChI=1S/C12H17NO2/c1-14-11-3-2-4-12(9-11)15-10-5-7-13-8-6-10/h2-4,9-10,13H,5-8H2,1H3
InChIKey:
DNZZLFXWMVOBBV-UHFFFAOYSA-N

Cite this record

CBID:20960 http://www.chembase.cn/molecule-20960.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-methoxyphenoxy)piperidine
IUPAC Traditional name
4-(3-methoxyphenoxy)piperidine
Synonyms
4-(3-Methoxyphenoxy)piperidine
4-(3-Methoxyphenoxy)piperidine
4-(3-甲氧基苯氧基)哌啶
CAS Number
162402-37-1
MDL Number
MFCD08061092
PubChem SID
160984267
PubChem CID
3268203

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3268203 external link

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 23.5271 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
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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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