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3-(1-ethyl-1H-imidazol-2-yl)-1-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propyl]piperidine

ChemBase ID: 398700
Molecular Formular: C15H25N7
Molecular Mass: 303.4059
Monoisotopic Mass: 303.21714384
SMILES and InChIs

SMILES:
n1nn(c(n1)C)CCCN1CC(c2n(ccn2)CC)CCC1
Canonical SMILES:
CCn1ccnc1C1CCCN(C1)CCCn1nnnc1C
InChI:
InChI=1S/C15H25N7/c1-3-21-11-7-16-15(21)14-6-4-8-20(12-14)9-5-10-22-13(2)17-18-19-22/h7,11,14H,3-6,8-10,12H2,1-2H3
InChIKey:
CYIZKQNNQWOAPL-UHFFFAOYSA-N

Cite this record

CBID:398700 http://www.chembase.cn/molecule-398700.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(1-ethyl-1H-imidazol-2-yl)-1-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propyl]piperidine
IUPAC Traditional name
3-(1-ethylimidazol-2-yl)-1-[3-(5-methyl-1,2,3,4-tetrazol-1-yl)propyl]piperidine
Synonyms
3-(1-ethyl-1H-imidazol-2-yl)-1-[3-(5-methyl-1H-tetrazol-1-yl)propyl]piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -2.9619577  LogD (pH = 7.4) -0.9071323 
Log P 0.5650691  Molar Refractivity 99.5428 cm3
Polarizability 32.548626 Å3 Polar Surface Area 64.66 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.49  LOG S -0.82 
Polar Surface Area 64.66 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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