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1-ethyl-4-{1-[2-(oxan-2-ylmethoxy)ethyl]piperidin-4-yl}piperazine

ChemBase ID: 398908
Molecular Formular: C19H37N3O2
Molecular Mass: 339.51598
Monoisotopic Mass: 339.28857744
SMILES and InChIs

SMILES:
N1(C2CCN(CC2)CCOCC2OCCCC2)CCN(CC1)CC
Canonical SMILES:
CCN1CCN(CC1)C1CCN(CC1)CCOCC1CCCCO1
InChI:
InChI=1S/C19H37N3O2/c1-2-20-10-12-22(13-11-20)18-6-8-21(9-7-18)14-16-23-17-19-5-3-4-15-24-19/h18-19H,2-17H2,1H3
InChIKey:
YTWKAFSOAOYWPN-UHFFFAOYSA-N

Cite this record

CBID:398908 http://www.chembase.cn/molecule-398908.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-4-{1-[2-(oxan-2-ylmethoxy)ethyl]piperidin-4-yl}piperazine
IUPAC Traditional name
1-ethyl-4-{1-[2-(oxan-2-ylmethoxy)ethyl]piperidin-4-yl}piperazine
Synonyms
1-ethyl-4-{1-[2-(tetrahydro-2H-pyran-2-ylmethoxy)ethyl]-4-piperidinyl}piperazine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 22575127 external link Add to cart
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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) -4.430061  LogD (pH = 7.4) -1.1374714 
Log P 1.2370853  Molar Refractivity 100.1371 cm3
Polarizability 39.503445 Å3 Polar Surface Area 28.18 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.72  LOG S 0.12 
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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