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3413-29-4 molecular structure
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4-(2-fluorophenoxy)piperidine hydrochloride

ChemBase ID: 19051
Molecular Formular: C11H15ClFNO
Molecular Mass: 231.6943032
Monoisotopic Mass: 231.08262001
SMILES and InChIs

SMILES:
Cl.c1ccc(c(c1)F)OC1CCNCC1
Canonical SMILES:
Fc1ccccc1OC1CCNCC1.Cl
InChI:
InChI=1S/C11H14FNO.ClH/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKey:
LPYCXDRKDWMHGU-UHFFFAOYSA-N

Cite this record

CBID:19051 http://www.chembase.cn/molecule-19051.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-fluorophenoxy)piperidine hydrochloride
IUPAC Traditional name
4-(2-fluorophenoxy)piperidine hydrochloride
Synonyms
4-(2-fluorophenoxy)piperidine hydrochloride
4-(2-Fluoro-phenoxy)-piperidine hydrochloride
CAS Number
3413-29-4
MDL Number
MFCD08146652
PubChem SID
160982358
PubChem CID
16731691

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16731691 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.605364  LogD (pH = 7.4) -0.76104414 
Log P 1.6020347  Molar Refractivity 52.894 cm3
Polarizability 20.665693 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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