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1-[1-({4-[3-(1H-imidazol-1-yl)propoxy]phenyl}methyl)azetidin-3-yl]-2-methylpiperidine

ChemBase ID: 470076
Molecular Formular: C22H32N4O
Molecular Mass: 368.51568
Monoisotopic Mass: 368.25761166
SMILES and InChIs

SMILES:
C1(N2C(C)CCCC2)CN(C1)Cc1ccc(cc1)OCCCn1cncc1
Canonical SMILES:
CC1CCCCN1C1CN(C1)Cc1ccc(cc1)OCCCn1cncc1
InChI:
InChI=1S/C22H32N4O/c1-19-5-2-3-12-26(19)21-16-25(17-21)15-20-6-8-22(9-7-20)27-14-4-11-24-13-10-23-18-24/h6-10,13,18-19,21H,2-5,11-12,14-17H2,1H3
InChIKey:
AXXLUGGHQNRVDX-UHFFFAOYSA-N

Cite this record

CBID:470076 http://www.chembase.cn/molecule-470076.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[1-({4-[3-(1H-imidazol-1-yl)propoxy]phenyl}methyl)azetidin-3-yl]-2-methylpiperidine
IUPAC Traditional name
1-[1-({4-[3-(imidazol-1-yl)propoxy]phenyl}methyl)azetidin-3-yl]-2-methylpiperidine
Synonyms
1-(1-{4-[3-(1H-imidazol-1-yl)propoxy]benzyl}-3-azetidinyl)-2-methylpiperidine

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) -0.81796265  LogD (pH = 7.4) 1.256315 
Log P 2.8976858  Molar Refractivity 110.1509 cm3
Polarizability 42.87851 Å3 Polar Surface Area 33.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.17  LOG S -2.73 
Polar Surface Area 33.53 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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