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4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-1-(3-phenylpropyl)piperidine

ChemBase ID: 341449
Molecular Formular: C19H26N4
Molecular Mass: 310.43654
Monoisotopic Mass: 310.21574685
SMILES and InChIs

SMILES:
n1n(cc(n1)C1CC1)C1CCN(CC1)CCCc1ccccc1
Canonical SMILES:
C(Cc1ccccc1)CN1CCC(CC1)n1nnc(c1)C1CC1
InChI:
InChI=1S/C19H26N4/c1-2-5-16(6-3-1)7-4-12-22-13-10-18(11-14-22)23-15-19(20-21-23)17-8-9-17/h1-3,5-6,15,17-18H,4,7-14H2
InChIKey:
DOHACQILPUGEJW-UHFFFAOYSA-N

Cite this record

CBID:341449 http://www.chembase.cn/molecule-341449.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-1-(3-phenylpropyl)piperidine
IUPAC Traditional name
4-(4-cyclopropyl-1,2,3-triazol-1-yl)-1-(3-phenylpropyl)piperidine
Synonyms
4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-1-(3-phenylpropyl)piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14021236 external link Add to cart
Data Source Data ID Price
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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) 0.09602237  LogD (pH = 7.4) 1.5345539 
Log P 3.4159055  Molar Refractivity 104.7288 cm3
Polarizability 35.955303 Å3 Polar Surface Area 33.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.72  LOG S -2.78 
Polar Surface Area 33.95 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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