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1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidine

ChemBase ID: 340573
Molecular Formular: C26H32N2O3
Molecular Mass: 420.54388
Monoisotopic Mass: 420.24129289
SMILES and InChIs

SMILES:
C(=O)(N1CCCC1)c1ccc(OC2CCN(Cc3c(OCC=C)cccc3)CC2)cc1
Canonical SMILES:
C=CCOc1ccccc1CN1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCCC1
InChI:
InChI=1S/C26H32N2O3/c1-2-19-30-25-8-4-3-7-22(25)20-27-17-13-24(14-18-27)31-23-11-9-21(10-12-23)26(29)28-15-5-6-16-28/h2-4,7-12,24H,1,5-6,13-20H2
InChIKey:
VOFNQVNWVPVNBF-UHFFFAOYSA-N

Cite this record

CBID:340573 http://www.chembase.cn/molecule-340573.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidine
IUPAC Traditional name
1-{[2-(prop-2-en-1-yloxy)phenyl]methyl}-4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidine
Synonyms
1-[2-(allyloxy)benzyl]-4-[4-(1-pyrrolidinylcarbonyl)phenoxy]piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13896736 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) 1.4095434  LogD (pH = 7.4) 3.169627 
Log P 3.8442223  Molar Refractivity 124.6236 cm3
Polarizability 47.876446 Å3 Polar Surface Area 42.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.0  LOG S -4.3 
Polar Surface Area 42.01 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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