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6748-48-7 molecular structure
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4-(4-methoxyphenyl)piperidine hydrochloride

ChemBase ID: 18959
Molecular Formular: C12H18ClNO
Molecular Mass: 227.73042
Monoisotopic Mass: 227.10769188
SMILES and InChIs

SMILES:
c1c(ccc(c1)C1CCNCC1)OC.Cl
Canonical SMILES:
COc1ccc(cc1)C1CCNCC1.Cl
InChI:
InChI=1S/C12H17NO.ClH/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11;/h2-5,11,13H,6-9H2,1H3;1H
InChIKey:
GTHXQDYBGATGPF-UHFFFAOYSA-N

Cite this record

CBID:18959 http://www.chembase.cn/molecule-18959.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-methoxyphenyl)piperidine hydrochloride
IUPAC Traditional name
4-(4-methoxyphenyl)piperidine hydrochloride
Synonyms
4-(4-Methoxy-phenyl)-piperidine hydrochloride
CAS Number
6748-48-7
MDL Number
MFCD02178921
PubChem SID
160982266
PubChem CID
22252853

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
021194 external link Add to cart Please log in.
Data Source Data ID
PubChem 22252853 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3021672  LogD (pH = 7.4) -0.65994567 
Log P 1.9206395  Molar Refractivity 57.9422 cm3
Polarizability 22.78904 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
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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