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888070-04-0 molecular structure
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[2-(piperidin-1-yl)pyridin-4-yl]methanol

ChemBase ID: 101319
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
c1(N2CCCCC2)nccc(c1)CO
Canonical SMILES:
OCc1ccnc(c1)N1CCCCC1
InChI:
InChI=1S/C11H16N2O/c14-9-10-4-5-12-11(8-10)13-6-2-1-3-7-13/h4-5,8,14H,1-3,6-7,9H2
InChIKey:
QAQDFPCLEBLUQJ-UHFFFAOYSA-N

Cite this record

CBID:101319 http://www.chembase.cn/molecule-101319.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(piperidin-1-yl)pyridin-4-yl]methanol
IUPAC Traditional name
[2-(piperidin-1-yl)pyridin-4-yl]methanol
Synonyms
(2-piperidinopyrid-4-yl)methanol
CAS Number
888070-04-0
MDL Number
MFCD09025858
PubChem SID
162087963
PubChem CID
18525842

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 18525842 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.899248  H Acceptors
H Donor LogD (pH = 5.5) 0.7502655 
LogD (pH = 7.4) 1.5082276  Log P 1.5410911 
Molar Refractivity 57.6011 cm3 Polarizability 21.500206 Å3
Polar Surface Area 36.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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