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886362-81-8 molecular structure
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7-(piperidin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one

ChemBase ID: 801004
Molecular Formular: C14H18N2O
Molecular Mass: 230.30552
Monoisotopic Mass: 230.14191321
SMILES and InChIs

SMILES:
c1(cc2c(cc1)CCC(=O)N2)C1CCNCC1
Canonical SMILES:
O=C1CCc2c(N1)cc(cc2)C1CCNCC1
InChI:
InChI=1S/C14H18N2O/c17-14-4-3-11-1-2-12(9-13(11)16-14)10-5-7-15-8-6-10/h1-2,9-10,15H,3-8H2,(H,16,17)
InChIKey:
HVPMYWNYRDNIHW-UHFFFAOYSA-N

Cite this record

CBID:801004 http://www.chembase.cn/molecule-801004.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(piperidin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one
IUPAC Traditional name
7-(piperidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
Synonyms
7-Piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one
CAS Number
886362-81-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17205 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17205 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.86949  H Acceptors
H Donor LogD (pH = 5.5) -1.5997823 
LogD (pH = 7.4) -0.9353472  Log P 1.6216837 
Molar Refractivity 69.6069 cm3 Polarizability 26.246325 Å3
Polar Surface Area 41.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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