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63843-49-2 molecular structure
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4-(4-methylphenoxy)piperidine hydrochloride

ChemBase ID: 15353
Molecular Formular: C12H18ClNO
Molecular Mass: 227.73042
Monoisotopic Mass: 227.10769188
SMILES and InChIs

SMILES:
C1C(CCNC1)Oc1ccc(cc1)C.Cl
Canonical SMILES:
Cc1ccc(cc1)OC1CCNCC1.Cl
InChI:
InChI=1S/C12H17NO.ClH/c1-10-2-4-11(5-3-10)14-12-6-8-13-9-7-12;/h2-5,12-13H,6-9H2,1H3;1H
InChIKey:
FUYMHJIAYHLIEH-UHFFFAOYSA-N

Cite this record

CBID:15353 http://www.chembase.cn/molecule-15353.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-methylphenoxy)piperidine hydrochloride
IUPAC Traditional name
4-(4-methylphenoxy)piperidine hydrochloride
Synonyms
4-(4-Methylphenoxy)piperidine hydrochloride
CAS Number
63843-49-2
MDL Number
MFCD02258936
PubChem SID
160978660
PubChem CID
17749793

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 17749793 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2346445  LogD (pH = 7.4) -0.390326 
Log P 1.9727541  Molar Refractivity 57.7188 cm3
Polarizability 22.790892 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
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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