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677764-87-3 molecular structure
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[4-(piperidin-1-yl)phenyl]methanol

ChemBase ID: 101196
Molecular Formular: C12H17NO
Molecular Mass: 191.26948
Monoisotopic Mass: 191.13101417
SMILES and InChIs

SMILES:
N1(c2ccc(cc2)CO)CCCCC1
Canonical SMILES:
OCc1ccc(cc1)N1CCCCC1
InChI:
InChI=1S/C12H17NO/c14-10-11-4-6-12(7-5-11)13-8-2-1-3-9-13/h4-7,14H,1-3,8-10H2
InChIKey:
VHEGGCAHSYQMSB-UHFFFAOYSA-N

Cite this record

CBID:101196 http://www.chembase.cn/molecule-101196.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[4-(piperidin-1-yl)phenyl]methanol
IUPAC Traditional name
[4-(piperidin-1-yl)phenyl]methanol
Synonyms
(4-piperidinophenyl)methanol
CAS Number
677764-87-3
MDL Number
MFCD05864822
PubChem SID
162087900
PubChem CID
4961265

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 4961265 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.144579  H Acceptors
H Donor LogD (pH = 5.5) 1.9321412 
LogD (pH = 7.4) 2.160457  Log P 2.164306 
Molar Refractivity 59.4445 cm3 Polarizability 22.408932 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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