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247061-17-2 molecular structure
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N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide

ChemBase ID: 166471
Molecular Formular: C14H20N2O2
Molecular Mass: 248.3208
Monoisotopic Mass: 248.15247789
SMILES and InChIs

SMILES:
C1CCNC(C1)C(=O)Nc1c(ccc(c1C)O)C
Canonical SMILES:
O=C(C1CCCCN1)Nc1c(C)ccc(c1C)O
InChI:
InChI=1S/C14H20N2O2/c1-9-6-7-12(17)10(2)13(9)16-14(18)11-5-3-4-8-15-11/h6-7,11,15,17H,3-5,8H2,1-2H3,(H,16,18)
InChIKey:
CVZXIWSYOWTQAS-UHFFFAOYSA-N

Cite this record

CBID:166471 http://www.chembase.cn/molecule-166471.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide
IUPAC Traditional name
N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide
Synonyms
N-(3-Hydroxy-2,6-dimethylphenyl)-2-piperidinecarboxamide
N-Desmethyl 3-Hydroxy Mepivacaine
CAS Number
247061-17-2
PubChem SID
162260604
PubChem CID
71315747

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC D291845 external link Add to cart
PubChem 71315747 external link
Data Source Data ID Price
TRC
D291845 external link Add to cart Please log in.
Data Source Data ID
PubChem 71315747 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.051685  H Acceptors
H Donor LogD (pH = 5.5) -0.33368114 
LogD (pH = 7.4) 1.3219693  Log P 2.3339236 
Molar Refractivity 73.0059 cm3 Polarizability 27.50449 Å3
Polar Surface Area 61.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Beige Foam expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D291845 external link
Mepivacaine (M225060) derivative. A metabolite of Ropivacaine (R675000) and Lidocaine (L397800).

REFERENCES

REFERENCES

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  • • Falany, C. et al.; Drug. Metab. Dispos. 27, 1057 (1999)
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PATENTS

PATENTS

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INTERNET

INTERNET

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