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1-{1-[2-(4-phenylphenyl)ethyl]piperidin-4-yl}propan-1-ol

ChemBase ID: 460289
Molecular Formular: C22H29NO
Molecular Mass: 323.47176
Monoisotopic Mass: 323.22491455
SMILES and InChIs

SMILES:
N1(CCC(CC1)C(O)CC)CCc1ccc(c2ccccc2)cc1
Canonical SMILES:
CCC(C1CCN(CC1)CCc1ccc(cc1)c1ccccc1)O
InChI:
InChI=1S/C22H29NO/c1-2-22(24)21-13-16-23(17-14-21)15-12-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-11,21-22,24H,2,12-17H2,1H3
InChIKey:
XZXMDAZPVIEBPQ-UHFFFAOYSA-N

Cite this record

CBID:460289 http://www.chembase.cn/molecule-460289.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{1-[2-(4-phenylphenyl)ethyl]piperidin-4-yl}propan-1-ol
IUPAC Traditional name
1-{1-[2-(4-phenylphenyl)ethyl]piperidin-4-yl}propan-1-ol
Synonyms
1-{1-[2-(4-biphenylyl)ethyl]-4-piperidinyl}-1-propanol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.955762  H Acceptors
H Donor LogD (pH = 5.5) 1.2790259 
LogD (pH = 7.4) 2.7681072  Log P 4.568287 
Molar Refractivity 101.977 cm3 Polarizability 41.169643 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.57  LOG S -4.63 
Polar Surface Area 23.47 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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