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1044769-61-0 molecular structure
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1-[(4-fluorophenyl)methyl]piperidin-3-amine

ChemBase ID: 307640
Molecular Formular: C12H17FN2
Molecular Mass: 208.2751832
Monoisotopic Mass: 208.13757677
SMILES and InChIs

SMILES:
N1(Cc2ccc(F)cc2)CC(N)CCC1
Canonical SMILES:
NC1CCCN(C1)Cc1ccc(cc1)F
InChI:
InChI=1S/C12H17FN2/c13-11-5-3-10(4-6-11)8-15-7-1-2-12(14)9-15/h3-6,12H,1-2,7-9,14H2
InChIKey:
NMGICMVQPPCKCW-UHFFFAOYSA-N

Cite this record

CBID:307640 http://www.chembase.cn/molecule-307640.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(4-fluorophenyl)methyl]piperidin-3-amine
IUPAC Traditional name
1-[(4-fluorophenyl)methyl]piperidin-3-amine
Synonyms
1-(4-fluorobenzyl)-3-piperidinamine
CAS Number
1044769-61-0
MDL Number
MFCD11048169

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0102773  LogD (pH = 7.4) -0.4796471 
Log P 1.7259252  Molar Refractivity 59.9781 cm3
Polarizability 23.346273 Å3 Polar Surface Area 29.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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