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1-(naphthalen-2-yl)-4-(oxane-4-carbonyl)piperazine

ChemBase ID: 865687
Molecular Formular: C20H24N2O2
Molecular Mass: 324.41676
Monoisotopic Mass: 324.18377802
SMILES and InChIs

SMILES:
N1(C(=O)C2CCOCC2)CCN(c2cc3c(cc2)cccc3)CC1
Canonical SMILES:
O=C(N1CCN(CC1)c1ccc2c(c1)cccc2)C1CCOCC1
InChI:
InChI=1S/C20H24N2O2/c23-20(17-7-13-24-14-8-17)22-11-9-21(10-12-22)19-6-5-16-3-1-2-4-18(16)15-19/h1-6,15,17H,7-14H2
InChIKey:
SBTHZSAOXOCGPY-UHFFFAOYSA-N

Cite this record

CBID:865687 http://www.chembase.cn/molecule-865687.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(naphthalen-2-yl)-4-(oxane-4-carbonyl)piperazine
IUPAC Traditional name
1-(naphthalen-2-yl)-4-(oxane-4-carbonyl)piperazine
Synonyms
1-(2-naphthyl)-4-(tetrahydro-2H-pyran-4-ylcarbonyl)piperazine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66721176 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)
Polar Surface Area 32.78 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.5619457 
LogD (pH = 7.4) 2.5657375  Log P 2.5657861 
Molar Refractivity 96.0088 cm3 Polarizability 37.844284 Å3
Polar Surface Area 32.78 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 2.32  LOG S -3.55 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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