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2-[(4-phenylpiperidin-1-yl)methyl]-4-(pyridin-2-yl)phenol

ChemBase ID: 510022
Molecular Formular: C23H24N2O
Molecular Mass: 344.44946
Monoisotopic Mass: 344.1888634
SMILES and InChIs

SMILES:
c1(cc(c2ncccc2)ccc1O)CN1CCC(CC1)c1ccccc1
Canonical SMILES:
Oc1ccc(cc1CN1CCC(CC1)c1ccccc1)c1ccccn1
InChI:
InChI=1S/C23H24N2O/c26-23-10-9-20(22-8-4-5-13-24-22)16-21(23)17-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-10,13,16,19,26H,11-12,14-15,17H2
InChIKey:
SMIBHAIRRPEWBE-UHFFFAOYSA-N

Cite this record

CBID:510022 http://www.chembase.cn/molecule-510022.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(4-phenylpiperidin-1-yl)methyl]-4-(pyridin-2-yl)phenol
IUPAC Traditional name
2-[(4-phenylpiperidin-1-yl)methyl]-4-(pyridin-2-yl)phenol
Synonyms
2-[(4-phenyl-1-piperidinyl)methyl]-4-(2-pyridinyl)phenol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40458540 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 7.6164045  H Acceptors
H Donor LogD (pH = 5.5) 1.498922 
LogD (pH = 7.4) 2.959444  Log P 3.3473687 
Molar Refractivity 105.9745 cm3 Polarizability 42.459267 Å3
Polar Surface Area 36.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.7  LOG S -5.01 
Polar Surface Area 36.36 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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