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612507-29-6 molecular structure
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(2S)-2-(4-fluorophenyl)piperazine

ChemBase ID: 807781
Molecular Formular: C10H13FN2
Molecular Mass: 180.2220232
Monoisotopic Mass: 180.10627665
SMILES and InChIs

SMILES:
[C@@H]1(CNCCN1)c1ccc(cc1)F
Canonical SMILES:
Fc1ccc(cc1)[C@@H]1NCCNC1
InChI:
InChI=1S/C10H13FN2/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2/t10-/m1/s1
InChIKey:
NZAKSEMIIIZYEM-SNVBAGLBSA-N

Cite this record

CBID:807781 http://www.chembase.cn/molecule-807781.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-(4-fluorophenyl)piperazine
IUPAC Traditional name
(2S)-2-(4-fluorophenyl)piperazine
Synonyms
(2S)-2-(4-FLUOROPHENYL)PIPERAZINE
CAS Number
612507-29-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25943 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25943 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 49.948 cm3 Polarizability 19.66226 Å3
Polar Surface Area 24.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -1.882199 
LogD (pH = 7.4) -0.3758278  Log P 1.1981353 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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