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N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(pyridin-4-ylmethyl)cyclobutanamine

ChemBase ID: 460110
Molecular Formular: C19H31N3O
Molecular Mass: 317.46894
Monoisotopic Mass: 317.24671263
SMILES and InChIs

SMILES:
N(Cc1ccncc1)(CC1CCN(CC1)CCOC)C1CCC1
Canonical SMILES:
COCCN1CCC(CC1)CN(C1CCC1)Cc1ccncc1
InChI:
InChI=1S/C19H31N3O/c1-23-14-13-21-11-7-18(8-12-21)16-22(19-3-2-4-19)15-17-5-9-20-10-6-17/h5-6,9-10,18-19H,2-4,7-8,11-16H2,1H3
InChIKey:
XYIHHLJKQXUUBH-UHFFFAOYSA-N

Cite this record

CBID:460110 http://www.chembase.cn/molecule-460110.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(pyridin-4-ylmethyl)cyclobutanamine
IUPAC Traditional name
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(pyridin-4-ylmethyl)cyclobutanamine
Synonyms
N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-(4-pyridinylmethyl)cyclobutanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -4.632451  LogD (pH = 7.4) -2.0320005 
Log P 2.0475347  Molar Refractivity 95.5686 cm3
Polarizability 37.510704 Å3 Polar Surface Area 28.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.11  LOG S -0.47 
Polar Surface Area 28.6 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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