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38247-88-0 molecular structure
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3-(4-methoxyphenoxy)piperidine

ChemBase ID: 76417
Molecular Formular: C12H17NO2
Molecular Mass: 207.26888
Monoisotopic Mass: 207.12592879
SMILES and InChIs

SMILES:
N1CC(Oc2ccc(cc2)OC)CCC1
Canonical SMILES:
COc1ccc(cc1)OC1CCCNC1
InChI:
InChI=1S/C12H17NO2/c1-14-10-4-6-11(7-5-10)15-12-3-2-8-13-9-12/h4-7,12-13H,2-3,8-9H2,1H3
InChIKey:
RLOWUIOSLGWUIA-UHFFFAOYSA-N

Cite this record

CBID:76417 http://www.chembase.cn/molecule-76417.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-methoxyphenoxy)piperidine
IUPAC Traditional name
3-(4-methoxyphenoxy)piperidine
Synonyms
3-(4-Methoxyphenoxy)piperidine
3-(4-methoxy-phenoxy)piperidine
CAS Number
38247-88-0
MDL Number
MFCD06796303
MFCD05863871
PubChem SID
162041322
PubChem CID
3345976

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3345976 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4116923  LogD (pH = 7.4) -0.3053584 
Log P 1.7590644  Molar Refractivity 58.92 cm3
Polarizability 23.526104 Å3 Polar Surface Area 30.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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