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MFCD11174216 molecular structure
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2-(phenylamino)-1-(piperidin-1-yl)propan-1-one

ChemBase ID: 270235
Molecular Formular: C14H20N2O
Molecular Mass: 232.3214
Monoisotopic Mass: 232.15756327
SMILES and InChIs

SMILES:
C(=O)(N1CCCCC1)C(Nc1ccccc1)C
Canonical SMILES:
CC(C(=O)N1CCCCC1)Nc1ccccc1
InChI:
InChI=1S/C14H20N2O/c1-12(15-13-8-4-2-5-9-13)14(17)16-10-6-3-7-11-16/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3
InChIKey:
RHOCBAMVOIYEOD-UHFFFAOYSA-N

Cite this record

CBID:270235 http://www.chembase.cn/molecule-270235.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(phenylamino)-1-(piperidin-1-yl)propan-1-one
IUPAC Traditional name
2-(phenylamino)-1-(piperidin-1-yl)propan-1-one
Synonyms
2-(phenylamino)-1-(piperidin-1-yl)propan-1-one
MDL Number
MFCD11174216
PubChem SID
164326145
PubChem CID
21149741

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69013 external link Add to cart Please log in.
Data Source Data ID
PubChem 21149741 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.606983  H Acceptors
H Donor LogD (pH = 5.5) 1.9831115 
LogD (pH = 7.4) 1.9835416  Log P 1.9835471 
Molar Refractivity 70.5879 cm3 Polarizability 26.683016 Å3
Polar Surface Area 32.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.19 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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