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65195-20-2 molecular structure
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2-(piperidin-1-yl)phenol

ChemBase ID: 85467
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
N1(c2ccccc2O)CCCCC1
Canonical SMILES:
Oc1ccccc1N1CCCCC1
InChI:
InChI=1S/C11H15NO/c13-11-7-3-2-6-10(11)12-8-4-1-5-9-12/h2-3,6-7,13H,1,4-5,8-9H2
InChIKey:
OXELIFPFCCGAJX-UHFFFAOYSA-N

Cite this record

CBID:85467 http://www.chembase.cn/molecule-85467.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(piperidin-1-yl)phenol
IUPAC Traditional name
2-(piperidin-1-yl)phenol
Synonyms
1-(2-Hydroxyphenyl)piperidine
2-(1-Piperidino)phenol
2-(1-Piperidinyl)phenol
2-piperidinophenol
2-(1-哌啶基)苯酚
CAS Number
65195-20-2
MDL Number
MFCD00051687
Beilstein Number
151777
PubChem SID
162072583
PubChem CID
3262250

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3262250 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.208455  H Acceptors
H Donor LogD (pH = 5.5) 2.5914443 
LogD (pH = 7.4) 2.6267977  Log P 2.6280904 
Molar Refractivity 54.6095 cm3 Polarizability 20.555805 Å3
Polar Surface Area 23.47 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
73-76°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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