Home > Compound List > Compound details
612502-33-7 molecular structure
click picture or here to close

(2S)-2-[(2-fluorophenyl)methyl]piperazine

ChemBase ID: 807915
Molecular Formular: C11H15FN2
Molecular Mass: 194.2486032
Monoisotopic Mass: 194.12192671
SMILES and InChIs

SMILES:
[C@@H]1(CNCCN1)Cc1c(cccc1)F
Canonical SMILES:
Fc1ccccc1C[C@H]1CNCCN1
InChI:
InChI=1S/C11H15FN2/c12-11-4-2-1-3-9(11)7-10-8-13-5-6-14-10/h1-4,10,13-14H,5-8H2/t10-/m0/s1
InChIKey:
LGJFTGNRCDDJLD-JTQLQIEISA-N

Cite this record

CBID:807915 http://www.chembase.cn/molecule-807915.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-[(2-fluorophenyl)methyl]piperazine
IUPAC Traditional name
(2S)-2-[(2-fluorophenyl)methyl]piperazine
Synonyms
(S)-2-(2-FLUORO-BENZYL)-PIPERAZINE
CAS Number
612502-33-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O26077 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O26077 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7163976  LogD (pH = 7.4) -0.31254637 
Log P 1.4867965  Molar Refractivity 54.703 cm3
Polarizability 21.431292 Å3 Polar Surface Area 24.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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