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4-(1-{1-[(4-methylphenyl)methyl]piperidin-4-yl}piperidine-3-carbonyl)morpholine

ChemBase ID: 370770
Molecular Formular: C23H35N3O2
Molecular Mass: 385.5429
Monoisotopic Mass: 385.27292738
SMILES and InChIs

SMILES:
C(=O)(C1CN(C2CCN(CC2)Cc2ccc(cc2)C)CCC1)N1CCOCC1
Canonical SMILES:
Cc1ccc(cc1)CN1CCC(CC1)N1CCCC(C1)C(=O)N1CCOCC1
InChI:
InChI=1S/C23H35N3O2/c1-19-4-6-20(7-5-19)17-24-11-8-22(9-12-24)26-10-2-3-21(18-26)23(27)25-13-15-28-16-14-25/h4-7,21-22H,2-3,8-18H2,1H3
InChIKey:
RLXPLFLBDODVMY-UHFFFAOYSA-N

Cite this record

CBID:370770 http://www.chembase.cn/molecule-370770.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1-{1-[(4-methylphenyl)methyl]piperidin-4-yl}piperidine-3-carbonyl)morpholine
IUPAC Traditional name
4-(1-{1-[(4-methylphenyl)methyl]piperidin-4-yl}piperidine-3-carbonyl)morpholine
Synonyms
1'-(4-methylbenzyl)-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine

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)
H Acceptors H Donor
LogD (pH = 5.5) -3.0624697  LogD (pH = 7.4) -0.7779471 
Log P 2.1057973  Molar Refractivity 114.011 cm3
Polarizability 44.32697 Å3 Polar Surface Area 36.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.8  LOG S -4.4 
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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