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4-({6-[4-(1H-imidazol-2-yl)piperidin-1-yl]pyridin-3-yl}methyl)morpholine

ChemBase ID: 320410
Molecular Formular: C18H25N5O
Molecular Mass: 327.424
Monoisotopic Mass: 327.20591045
SMILES and InChIs

SMILES:
N1(c2ncc(CN3CCOCC3)cc2)CCC(c2ncc[nH]2)CC1
Canonical SMILES:
O1CCN(CC1)Cc1ccc(nc1)N1CCC(CC1)c1ncc[nH]1
InChI:
InChI=1S/C18H25N5O/c1-2-17(21-13-15(1)14-22-9-11-24-12-10-22)23-7-3-16(4-8-23)18-19-5-6-20-18/h1-2,5-6,13,16H,3-4,7-12,14H2,(H,19,20)
InChIKey:
ZPUIBTGRMWGCSF-UHFFFAOYSA-N

Cite this record

CBID:320410 http://www.chembase.cn/molecule-320410.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-({6-[4-(1H-imidazol-2-yl)piperidin-1-yl]pyridin-3-yl}methyl)morpholine
IUPAC Traditional name
4-({6-[4-(1H-imidazol-2-yl)piperidin-1-yl]pyridin-3-yl}methyl)morpholine
Synonyms
4-({6-[4-(1H-imidazol-2-yl)-1-piperidinyl]-3-pyridinyl}methyl)morpholine

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 13.58957  H Acceptors
H Donor LogD (pH = 5.5) -0.550635 
LogD (pH = 7.4) 1.221001  Log P 1.455268 
Molar Refractivity 95.4521 cm3 Polarizability 36.072403 Å3
Polar Surface Area 57.28 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.3  LOG S -0.32 
Polar Surface Area 57.28 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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