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1-[3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)propyl]-3-{2-[3-(trifluoromethyl)phenyl]ethyl}piperidine

ChemBase ID: 322513
Molecular Formular: C19H26F3N5
Molecular Mass: 381.4384496
Monoisotopic Mass: 381.21403052
SMILES and InChIs

SMILES:
n1nn(c(n1)C)CCCN1CC(CCc2cc(C(F)(F)F)ccc2)CCC1
Canonical SMILES:
Cc1nnnn1CCCN1CCCC(C1)CCc1cccc(c1)C(F)(F)F
InChI:
InChI=1S/C19H26F3N5/c1-15-23-24-25-27(15)12-4-11-26-10-3-6-17(14-26)9-8-16-5-2-7-18(13-16)19(20,21)22/h2,5,7,13,17H,3-4,6,8-12,14H2,1H3
InChIKey:
QMZPBIDLPPOYST-UHFFFAOYSA-N

Cite this record

CBID:322513 http://www.chembase.cn/molecule-322513.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

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) 0.24823828  LogD (pH = 7.4) 1.3943123 
Log P 3.6705093  Molar Refractivity 112.7441 cm3
Polarizability 36.83909 Å3 Polar Surface Area 46.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.81  LOG S -4.23 
Polar Surface Area 46.84 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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