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(2S)-2-(dimethylamino)-1-{4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl}-3-phenylpropan-1-one

ChemBase ID: 340578
Molecular Formular: C22H35N3O2
Molecular Mass: 373.5322
Monoisotopic Mass: 373.27292738
SMILES and InChIs

SMILES:
C(=O)(N1CCC(N2C[C@@H](O[C@@H](C2)C)C)CC1)[C@@H](N(C)C)Cc1ccccc1
Canonical SMILES:
C[C@@H]1O[C@H](C)CN(C1)C1CCN(CC1)C(=O)[C@@H](N(C)C)Cc1ccccc1
InChI:
InChI=1S/C22H35N3O2/c1-17-15-25(16-18(2)27-17)20-10-12-24(13-11-20)22(26)21(23(3)4)14-19-8-6-5-7-9-19/h5-9,17-18,20-21H,10-16H2,1-4H3/t17-,18+,21-/m0/s1
InChIKey:
DWPOGNHTYATIGS-UEXGIBASSA-N

Cite this record

CBID:340578 http://www.chembase.cn/molecule-340578.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-(dimethylamino)-1-{4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl}-3-phenylpropan-1-one
IUPAC Traditional name
(2S)-2-(dimethylamino)-1-{4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl}-3-phenylpropan-1-one
Synonyms
((1S)-1-benzyl-2-{4-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-1-piperidinyl}-2-oxoethyl)dimethylamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -2.3734498  LogD (pH = 7.4) 1.0584761 
Log P 2.1751087  Molar Refractivity 110.1644 cm3
Polarizability 43.295902 Å3 Polar Surface Area 36.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.83  LOG S -4.34 
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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