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654662-60-9 molecular structure
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4-[2-(4-methoxyphenyl)ethyl]piperidine

ChemBase ID: 18524
Molecular Formular: C14H21NO
Molecular Mass: 219.32264
Monoisotopic Mass: 219.1623143
SMILES and InChIs

SMILES:
N1CCC(CCc2ccc(cc2)OC)CC1
Canonical SMILES:
COc1ccc(cc1)CCC1CCNCC1
InChI:
InChI=1S/C14H21NO/c1-16-14-6-4-12(5-7-14)2-3-13-8-10-15-11-9-13/h4-7,13,15H,2-3,8-11H2,1H3
InChIKey:
CBHRLPOIZTWXCI-UHFFFAOYSA-N

Cite this record

CBID:18524 http://www.chembase.cn/molecule-18524.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(4-methoxyphenyl)ethyl]piperidine
IUPAC Traditional name
4-[2-(4-methoxyphenyl)ethyl]piperidine
Synonyms
4-[2-(4-methoxyphenyl)ethyl]piperidine
4-[2-(4-Methoxy-phenyl)-ethyl]-piperidine
CAS Number
654662-60-9
MDL Number
MFCD05022476
PubChem SID
160981831
PubChem CID
4341901

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4341901 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.42181137  LogD (pH = 7.4) 0.034514267 
Log P 2.8097768  Molar Refractivity 67.1442 cm3
Polarizability 26.482155 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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