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2-(1-{[4-(furan-2-yl)phenyl]methyl}piperidin-3-yl)propan-2-ol

ChemBase ID: 341308
Molecular Formular: C19H25NO2
Molecular Mass: 299.4073
Monoisotopic Mass: 299.18852905
SMILES and InChIs

SMILES:
N1(CC(C(O)(C)C)CCC1)Cc1ccc(c2occc2)cc1
Canonical SMILES:
CC(C1CCCN(C1)Cc1ccc(cc1)c1ccco1)(O)C
InChI:
InChI=1S/C19H25NO2/c1-19(2,21)17-5-3-11-20(14-17)13-15-7-9-16(10-8-15)18-6-4-12-22-18/h4,6-10,12,17,21H,3,5,11,13-14H2,1-2H3
InChIKey:
YYQCAAMLAIGWCT-UHFFFAOYSA-N

Cite this record

CBID:341308 http://www.chembase.cn/molecule-341308.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-{[4-(furan-2-yl)phenyl]methyl}piperidin-3-yl)propan-2-ol
IUPAC Traditional name
2-(1-{[4-(furan-2-yl)phenyl]methyl}piperidin-3-yl)propan-2-ol
Synonyms
2-{1-[4-(2-furyl)benzyl]piperidin-3-yl}propan-2-ol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.028803  H Acceptors
H Donor LogD (pH = 5.5) -0.24053842 
LogD (pH = 7.4) 1.0598363  Log P 3.1394835 
Molar Refractivity 89.6283 cm3 Polarizability 36.17983 Å3
Polar Surface Area 36.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.3  LOG S -3.19 
Polar Surface Area 36.61 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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