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1185294-00-1 molecular structure
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2-[2-(4-methoxyphenyl)ethyl]piperidine hydrochloride

ChemBase ID: 30536
Molecular Formular: C14H22ClNO
Molecular Mass: 255.78358
Monoisotopic Mass: 255.13899201
SMILES and InChIs

SMILES:
N1C(CCc2ccc(cc2)OC)CCCC1.Cl
Canonical SMILES:
COc1ccc(cc1)CCC1CCCCN1.Cl
InChI:
InChI=1S/C14H21NO.ClH/c1-16-14-9-6-12(7-10-14)5-8-13-4-2-3-11-15-13;/h6-7,9-10,13,15H,2-5,8,11H2,1H3;1H
InChIKey:
CLAXIJVFUDIFQY-UHFFFAOYSA-N

Cite this record

CBID:30536 http://www.chembase.cn/molecule-30536.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(4-methoxyphenyl)ethyl]piperidine hydrochloride
IUPAC Traditional name
2-[2-(4-methoxyphenyl)ethyl]piperidine hydrochloride
Synonyms
2-[2-(4-Methoxy-phenyl)-ethyl]-piperidine hydrochloride
CAS Number
1185294-00-1
MDL Number
MFCD11506467
PubChem SID
160993843
PubChem CID
46736415

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 46736415 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.21351102  LogD (pH = 7.4) 0.2634203 
Log P 3.0172865  Molar Refractivity 66.9374 cm3
Polarizability 26.482086 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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