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3202-33-3 molecular structure
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4-phenoxypiperidine

ChemBase ID: 20939
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
N1CCC(Oc2ccccc2)CC1
Canonical SMILES:
N1CCC(CC1)Oc1ccccc1
InChI:
InChI=1S/C11H15NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKey:
KBYPITRKIJKGMD-UHFFFAOYSA-N

Cite this record

CBID:20939 http://www.chembase.cn/molecule-20939.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-phenoxypiperidine
IUPAC Traditional name
4-phenoxypiperidine
Synonyms
4-Phenoxypiperidine
4-Phenoxypiperidine
4-苯氧基哌啶
CAS Number
3202-33-3
MDL Number
MFCD04114971
PubChem SID
160984246
PubChem CID
18878

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.748066  LogD (pH = 7.4) -0.9037474 
Log P 1.4593327  Molar Refractivity 52.6776 cm3
Polarizability 21.02525 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
34 - 36°C expand Show data source
Boiling Point
107-108°C/0.1mm expand Show data source
Hydrophobicity(logP)
1.673 expand Show data source
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
95% expand Show data source
98% expand Show data source
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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