Home > Compound List > Compound details
188869-26-3 molecular structure
click picture or here to close

[4-(4-fluorophenyl)piperidin-3-yl]methanol

ChemBase ID: 800845
Molecular Formular: C12H16FNO
Molecular Mass: 209.2599432
Monoisotopic Mass: 209.12159236
SMILES and InChIs

SMILES:
C(O)C1C(CCNC1)c1ccc(cc1)F
Canonical SMILES:
OCC1CNCCC1c1ccc(cc1)F
InChI:
InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2
InChIKey:
IBOPBHBOBJYXTD-UHFFFAOYSA-N

Cite this record

CBID:800845 http://www.chembase.cn/molecule-800845.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(4-fluorophenyl)piperidin-3-yl]methanol
IUPAC Traditional name
[4-(4-fluorophenyl)piperidin-3-yl]methanol
Synonyms
trans-[4-(4-Fluoro-phenyl)-piperidin-3-yl]-methanol
CAS Number
188869-26-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O16908 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O16908 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.4119215  H Acceptors
H Donor LogD (pH = 5.5) -2.0033772 
LogD (pH = 7.4) -1.0429853  Log P 1.1908636 
Molar Refractivity 57.9969 cm3 Polarizability 22.370007 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% 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