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62614-84-0 molecular structure
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4-(piperidin-4-yl)phenol

ChemBase ID: 253269
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
N1CCC(c2ccc(cc2)O)CC1
Canonical SMILES:
Oc1ccc(cc1)C1CCNCC1
InChI:
InChI=1S/C11H15NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-4,10,12-13H,5-8H2
InChIKey:
ZDEWVCFSCQUKTE-UHFFFAOYSA-N

Cite this record

CBID:253269 http://www.chembase.cn/molecule-253269.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperidin-4-yl)phenol
IUPAC Traditional name
4-(piperidin-4-yl)phenol
Synonyms
4-piperidin-4-ylphenol
CAS Number
62614-84-0
MDL Number
MFCD08444690
PubChem SID
164309179
PubChem CID
10511511

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-26803 external link Add to cart Please log in.
Data Source Data ID
PubChem 10511511 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.494079  H Acceptors
H Donor LogD (pH = 5.5) -1.4472084 
LogD (pH = 7.4) -0.79121345  Log P 1.2455438 
Molar Refractivity 53.4599 cm3 Polarizability 20.869549 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
227 - 229°C expand Show data source
Hydrophobicity(logP)
1.676 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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