Home > Compound List > Compound details
194288-97-6 molecular structure
click picture or here to close

4-[(2-fluorophenyl)methyl]piperidine

ChemBase ID: 272833
Molecular Formular: C12H16FN
Molecular Mass: 193.2605432
Monoisotopic Mass: 193.12667774
SMILES and InChIs

SMILES:
c1(CC2CCNCC2)c(F)cccc1
Canonical SMILES:
Fc1ccccc1CC1CCNCC1
InChI:
InChI=1S/C12H16FN/c13-12-4-2-1-3-11(12)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2
InChIKey:
HPTZGYXMDTTYBG-UHFFFAOYSA-N

Cite this record

CBID:272833 http://www.chembase.cn/molecule-272833.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(2-fluorophenyl)methyl]piperidine
IUPAC Traditional name
4-[(2-fluorophenyl)methyl]piperidine
Synonyms
4-(2-fluorobenzyl)piperidine
4-[(2-fluorophenyl)methyl]piperidine
CAS Number
194288-97-6
MDL Number
MFCD09756527
PubChem SID
164328743
PubChem CID
10775780

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10775780 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5659849  LogD (pH = 7.4) -0.109074354 
Log P 2.6655812  Molar Refractivity 56.2964 cm3
Polarizability 21.74749 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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