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1147422-28-3 molecular structure
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4-(3-fluoroazetidin-1-yl)piperidine

ChemBase ID: 799555
Molecular Formular: C8H15FN2
Molecular Mass: 158.2165032
Monoisotopic Mass: 158.12192671
SMILES and InChIs

SMILES:
C1(CCNCC1)N1CC(C1)F
Canonical SMILES:
FC1CN(C1)C1CCNCC1
InChI:
InChI=1S/C8H15FN2/c9-7-5-11(6-7)8-1-3-10-4-2-8/h7-8,10H,1-6H2
InChIKey:
QCJPGIFKFKZXAQ-UHFFFAOYSA-N

Cite this record

CBID:799555 http://www.chembase.cn/molecule-799555.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-fluoroazetidin-1-yl)piperidine
IUPAC Traditional name
4-(3-fluoroazetidin-1-yl)piperidine
Synonyms
4-(3-fluoroazetidin-1-yl)piperidine
CAS Number
1147422-28-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14289 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14289 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) -3.39409  LogD (pH = 7.4) -2.766861 
Log P -0.07684045  Molar Refractivity 42.4459 cm3
Polarizability 16.752764 Å3 Polar Surface Area 15.27 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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