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N-[(4-fluorophenyl)methyl]-1-(pyrimidin-2-yl)piperidin-3-amine

ChemBase ID: 510127
Molecular Formular: C16H19FN4
Molecular Mass: 286.3472632
Monoisotopic Mass: 286.15937485
SMILES and InChIs

SMILES:
N1(c2ncccn2)CC(NCc2ccc(F)cc2)CCC1
Canonical SMILES:
Fc1ccc(cc1)CNC1CCCN(C1)c1ncccn1
InChI:
InChI=1S/C16H19FN4/c17-14-6-4-13(5-7-14)11-20-15-3-1-10-21(12-15)16-18-8-2-9-19-16/h2,4-9,15,20H,1,3,10-12H2
InChIKey:
YIYOXZSLGSNIQA-UHFFFAOYSA-N

Cite this record

CBID:510127 http://www.chembase.cn/molecule-510127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(4-fluorophenyl)methyl]-1-(pyrimidin-2-yl)piperidin-3-amine
IUPAC Traditional name
N-[(4-fluorophenyl)methyl]-1-(pyrimidin-2-yl)piperidin-3-amine
Synonyms
N-(4-fluorobenzyl)-1-(2-pyrimidinyl)-3-piperidinamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 40476375 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.30388808  LogD (pH = 7.4) 1.0264168 
Log P 2.8049016  Molar Refractivity 81.8615 cm3
Polarizability 30.768057 Å3 Polar Surface Area 41.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.76  LOG S -3.73 
Polar Surface Area 41.05 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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