Home > Compound List > Compound details
719-70-0 molecular structure
click picture or here to close

1-(4-fluoro-2-nitrophenyl)piperidine

ChemBase ID: 22049
Molecular Formular: C11H13FN2O2
Molecular Mass: 224.2315232
Monoisotopic Mass: 224.09610589
SMILES and InChIs

SMILES:
c1c(ccc(c1[N+](=O)[O-])N1CCCCC1)F
Canonical SMILES:
Fc1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
InChI:
InChI=1S/C11H13FN2O2/c12-9-4-5-10(11(8-9)14(15)16)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKey:
YSBDMNNCMGUEAL-UHFFFAOYSA-N

Cite this record

CBID:22049 http://www.chembase.cn/molecule-22049.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-fluoro-2-nitrophenyl)piperidine
IUPAC Traditional name
1-(4-fluoro-2-nitrophenyl)piperidine
Synonyms
1-(4-Fluoro-2-nitrophenyl)piperidine
CAS Number
719-70-0
MDL Number
MFCD00798370
PubChem SID
160985356
PubChem CID
2737434

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2737434 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0143106  LogD (pH = 7.4) 3.0143416 
Log P 3.0143418  Molar Refractivity 60.1697 cm3
Polarizability 21.539448 Å3 Polar Surface Area 49.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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