Home > Compound List > Compound details
3413-28-3 molecular structure
click picture or here to close

4-(4-fluorophenoxy)piperidine

ChemBase ID: 275546
Molecular Formular: C11H14FNO
Molecular Mass: 195.2333632
Monoisotopic Mass: 195.10594229
SMILES and InChIs

SMILES:
N1CCC(Oc2ccc(F)cc2)CC1
Canonical SMILES:
Fc1ccc(cc1)OC1CCNCC1
InChI:
InChI=1S/C11H14FNO/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-4,11,13H,5-8H2
InChIKey:
QUPXFCLFBNUVGX-UHFFFAOYSA-N

Cite this record

CBID:275546 http://www.chembase.cn/molecule-275546.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-fluorophenoxy)piperidine
IUPAC Traditional name
4-(4-fluorophenoxy)piperidine
Synonyms
4-(4-fluorophenoxy)piperidine
CAS Number
3413-28-3
MDL Number
MFCD04115015
PubChem SID
164331456
PubChem CID
3734896

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3734896 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6053641  LogD (pH = 7.4) -0.76104546 
Log P 1.6020347  Molar Refractivity 52.894 cm3
Polarizability 20.665182 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.956 expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle