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2-[4-(dimethylamino)phenyl]-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethan-1-one

ChemBase ID: 450177
Molecular Formular: C21H33N3O2
Molecular Mass: 359.50562
Monoisotopic Mass: 359.25727731
SMILES and InChIs

SMILES:
C(=O)(N1C(CCN2CCOCC2)CCCC1)Cc1ccc(N(C)C)cc1
Canonical SMILES:
O=C(N1CCCCC1CCN1CCOCC1)Cc1ccc(cc1)N(C)C
InChI:
InChI=1S/C21H33N3O2/c1-22(2)19-8-6-18(7-9-19)17-21(25)24-11-4-3-5-20(24)10-12-23-13-15-26-16-14-23/h6-9,20H,3-5,10-17H2,1-2H3
InChIKey:
XDFVPOYTHLQYNX-UHFFFAOYSA-N

Cite this record

CBID:450177 http://www.chembase.cn/molecule-450177.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(dimethylamino)phenyl]-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethan-1-one
IUPAC Traditional name
2-[4-(dimethylamino)phenyl]-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethanone
Synonyms
N,N-dimethyl-4-(2-{2-[2-(4-morpholinyl)ethyl]-1-piperidinyl}-2-oxoethyl)aniline

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 30687639 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)
H Acceptors H Donor
LogD (pH = 5.5) 0.41926086  LogD (pH = 7.4) 1.948236 
Log P 2.1296844  Molar Refractivity 107.181 cm3
Polarizability 41.059525 Å3 Polar Surface Area 36.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.25  LOG S -3.74 
Polar Surface Area 36.02 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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