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N-[1-(3,5-difluorophenyl)ethyl]-4-hydroxy-1-methylpiperidine-4-carboxamide

ChemBase ID: 470415
Molecular Formular: C15H20F2N2O2
Molecular Mass: 298.3283064
Monoisotopic Mass: 298.14928433
SMILES and InChIs

SMILES:
C(=O)(C1(CCN(CC1)C)O)NC(c1cc(cc(c1)F)F)C
Canonical SMILES:
CC(c1cc(F)cc(c1)F)NC(=O)C1(O)CCN(CC1)C
InChI:
InChI=1S/C15H20F2N2O2/c1-10(11-7-12(16)9-13(17)8-11)18-14(20)15(21)3-5-19(2)6-4-15/h7-10,21H,3-6H2,1-2H3,(H,18,20)
InChIKey:
RBPSMCLMVAONRD-UHFFFAOYSA-N

Cite this record

CBID:470415 http://www.chembase.cn/molecule-470415.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(3,5-difluorophenyl)ethyl]-4-hydroxy-1-methylpiperidine-4-carboxamide
IUPAC Traditional name
N-[1-(3,5-difluorophenyl)ethyl]-4-hydroxy-1-methylpiperidine-4-carboxamide
Synonyms
N-[1-(3,5-difluorophenyl)ethyl]-4-hydroxy-1-methylpiperidine-4-carboxamide

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 12.066748  H Acceptors
H Donor LogD (pH = 5.5) -1.7111131 
LogD (pH = 7.4) 0.05648227  Log P 1.057545 
Molar Refractivity 76.0199 cm3 Polarizability 28.933176 Å3
Polar Surface Area 52.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.76  LOG S -2.02 
Polar Surface Area 52.57 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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