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852180-58-6 molecular structure
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[3-(piperidin-1-yl)phenyl]methanol

ChemBase ID: 101200
Molecular Formular: C12H17NO
Molecular Mass: 191.26948
Monoisotopic Mass: 191.13101417
SMILES and InChIs

SMILES:
N1(c2cc(CO)ccc2)CCCCC1
Canonical SMILES:
OCc1cccc(c1)N1CCCCC1
InChI:
InChI=1S/C12H17NO/c14-10-11-5-4-6-12(9-11)13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8,10H2
InChIKey:
HNESBVGXCDQHLJ-UHFFFAOYSA-N

Cite this record

CBID:101200 http://www.chembase.cn/molecule-101200.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(piperidin-1-yl)phenyl]methanol
IUPAC Traditional name
[3-(piperidin-1-yl)phenyl]methanol
Synonyms
(3-piperidinophenyl)methanol
CAS Number
852180-58-6
MDL Number
MFCD07772816
PubChem SID
162086733
PubChem CID
7162330

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 7162330 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.10175  H Acceptors
H Donor LogD (pH = 5.5) 1.9782528 
LogD (pH = 7.4) 2.1613905  Log P 2.164306 
Molar Refractivity 59.4445 cm3 Polarizability 22.40898 Å3
Polar Surface Area 23.47 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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