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2-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridin-3-ol

ChemBase ID: 340449
Molecular Formular: C21H26N4O2
Molecular Mass: 366.45674
Monoisotopic Mass: 366.20557609
SMILES and InChIs

SMILES:
C(=O)(c1ncccc1O)N1CC(N2CCN(CC2)c2ccccc2)CCC1
Canonical SMILES:
Oc1cccnc1C(=O)N1CCCC(C1)N1CCN(CC1)c1ccccc1
InChI:
InChI=1S/C21H26N4O2/c26-19-9-4-10-22-20(19)21(27)25-11-5-8-18(16-25)24-14-12-23(13-15-24)17-6-2-1-3-7-17/h1-4,6-7,9-10,18,26H,5,8,11-16H2
InChIKey:
UZPMIXGIXDAFAY-UHFFFAOYSA-N

Cite this record

CBID:340449 http://www.chembase.cn/molecule-340449.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridin-3-ol
IUPAC Traditional name
2-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]pyridin-3-ol
Synonyms
2-{[3-(4-phenyl-1-piperazinyl)-1-piperidinyl]carbonyl}-3-pyridinol

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)
Acid pKa 7.814799  H Acceptors
H Donor LogD (pH = 5.5) 1.1562818 
LogD (pH = 7.4) 2.497767  Log P 2.3838596 
Molar Refractivity 106.1607 cm3 Polarizability 40.253506 Å3
Polar Surface Area 59.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.17  LOG S -3.73 
Polar Surface Area 59.91 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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