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63608-38-8 molecular structure
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4-(4-methoxyphenoxymethyl)piperidine

ChemBase ID: 17863
Molecular Formular: C13H19NO2
Molecular Mass: 221.29546
Monoisotopic Mass: 221.14157885
SMILES and InChIs

SMILES:
c1(OCC2CCNCC2)ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)OCC1CCNCC1
InChI:
InChI=1S/C13H19NO2/c1-15-12-2-4-13(5-3-12)16-10-11-6-8-14-9-7-11/h2-5,11,14H,6-10H2,1H3
InChIKey:
NPWGQYGFHRSCQA-UHFFFAOYSA-N

Cite this record

CBID:17863 http://www.chembase.cn/molecule-17863.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-methoxyphenoxymethyl)piperidine
IUPAC Traditional name
4-(4-methoxyphenoxymethyl)piperidine
Synonyms
4-(4-Methoxy-phenoxymethyl)-piperidine
4-[(4-methoxyphenoxy)methyl]piperidine
CAS Number
63608-38-8
MDL Number
MFCD07402197
PubChem SID
160981170
PubChem CID
6498684

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6498684 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4691586  LogD (pH = 7.4) -1.0083879 
Log P 1.7622622  Molar Refractivity 63.9588 cm3
Polarizability 25.36969 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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