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4-[4-(4-hydroxypiperidin-4-yl)phenyl]benzamide

ChemBase ID: 510060
Molecular Formular: C18H20N2O2
Molecular Mass: 296.3636
Monoisotopic Mass: 296.15247789
SMILES and InChIs

SMILES:
C(=O)(c1ccc(c2ccc(C3(CCNCC3)O)cc2)cc1)N
Canonical SMILES:
NC(=O)c1ccc(cc1)c1ccc(cc1)C1(O)CCNCC1
InChI:
InChI=1S/C18H20N2O2/c19-17(21)15-3-1-13(2-4-15)14-5-7-16(8-6-14)18(22)9-11-20-12-10-18/h1-8,20,22H,9-12H2,(H2,19,21)
InChIKey:
TUGWVOFRRZAWQP-UHFFFAOYSA-N

Cite this record

CBID:510060 http://www.chembase.cn/molecule-510060.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[4-(4-hydroxypiperidin-4-yl)phenyl]benzamide
IUPAC Traditional name
4-[4-(4-hydroxypiperidin-4-yl)phenyl]benzamide
Synonyms
4'-(4-hydroxypiperidin-4-yl)biphenyl-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40464281 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)
Acid pKa 13.859896  H Acceptors
H Donor LogD (pH = 5.5) -1.8834003 
LogD (pH = 7.4) -0.7031561  Log P 1.2712886 
Molar Refractivity 87.1345 cm3 Polarizability 34.75054 Å3
Polar Surface Area 75.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.11  LOG S -2.31 
Polar Surface Area 75.35 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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