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4-[2-(3-{[3-(piperidin-1-yl)pyrrolidin-1-yl]methyl}phenoxy)ethyl]morpholine

ChemBase ID: 323885
Molecular Formular: C22H35N3O2
Molecular Mass: 373.5322
Monoisotopic Mass: 373.27292738
SMILES and InChIs

SMILES:
N1(CC(N2CCCCC2)CC1)Cc1cc(OCCN2CCOCC2)ccc1
Canonical SMILES:
C1CCN(CC1)C1CCN(C1)Cc1cccc(c1)OCCN1CCOCC1
InChI:
InChI=1S/C22H35N3O2/c1-2-8-25(9-3-1)21-7-10-24(19-21)18-20-5-4-6-22(17-20)27-16-13-23-11-14-26-15-12-23/h4-6,17,21H,1-3,7-16,18-19H2
InChIKey:
XQIRYDVVWXXITN-UHFFFAOYSA-N

Cite this record

CBID:323885 http://www.chembase.cn/molecule-323885.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(3-{[3-(piperidin-1-yl)pyrrolidin-1-yl]methyl}phenoxy)ethyl]morpholine
IUPAC Traditional name
4-[2-(3-{[3-(piperidin-1-yl)pyrrolidin-1-yl]methyl}phenoxy)ethyl]morpholine
Synonyms
4-(2-{3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenoxy}ethyl)morpholine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11497008 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) -2.4112542  LogD (pH = 7.4) 0.029186547 
Log P 2.374328  Molar Refractivity 110.8852 cm3
Polarizability 43.562553 Å3 Polar Surface Area 28.18 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.57  LOG S -2.26 
Polar Surface Area 28.18 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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