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{3-benzyl-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-3-yl}methanol

ChemBase ID: 370209
Molecular Formular: C23H25FN2O
Molecular Mass: 364.4558032
Monoisotopic Mass: 364.19509165
SMILES and InChIs

SMILES:
n1c2c(cc(cc2)F)ccc1CN1CC(Cc2ccccc2)(CO)CCC1
Canonical SMILES:
OCC1(CCCN(C1)Cc1ccc2c(n1)ccc(c2)F)Cc1ccccc1
InChI:
InChI=1S/C23H25FN2O/c24-20-8-10-22-19(13-20)7-9-21(25-22)15-26-12-4-11-23(16-26,17-27)14-18-5-2-1-3-6-18/h1-3,5-10,13,27H,4,11-12,14-17H2
InChIKey:
KMQYXNSSGIUOPX-UHFFFAOYSA-N

Cite this record

CBID:370209 http://www.chembase.cn/molecule-370209.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{3-benzyl-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-3-yl}methanol
IUPAC Traditional name
{3-benzyl-1-[(6-fluoroquinolin-2-yl)methyl]piperidin-3-yl}methanol
Synonyms
{3-benzyl-1-[(6-fluoro-2-quinolinyl)methyl]-3-piperidinyl}methanol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.060434  H Acceptors
H Donor LogD (pH = 5.5) 1.7258754 
LogD (pH = 7.4) 3.48937  Log P 4.1874123 
Molar Refractivity 105.6986 cm3 Polarizability 42.282185 Å3
Polar Surface Area 36.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.73  LOG S -4.01 
Polar Surface Area 36.36 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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