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616-66-0 molecular structure
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N-(3-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide

ChemBase ID: 170214
Molecular Formular: C15H22N2O2
Molecular Mass: 262.34738
Monoisotopic Mass: 262.16812795
SMILES and InChIs

SMILES:
C1CCN(C(C1)C(=O)Nc1c(ccc(c1C)O)C)C
Canonical SMILES:
CN1CCCCC1C(=O)Nc1c(C)ccc(c1C)O
InChI:
InChI=1S/C15H22N2O2/c1-10-7-8-13(18)11(2)14(10)16-15(19)12-6-4-5-9-17(12)3/h7-8,12,18H,4-6,9H2,1-3H3,(H,16,19)
InChIKey:
DVENKGUHBZKQPU-UHFFFAOYSA-N

Cite this record

CBID:170214 http://www.chembase.cn/molecule-170214.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
IUPAC Traditional name
N-(3-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
Synonyms
N-(3-Hydroxy-2,6-dimethylphenyl)-1-methyl-2-piperidinecarboxamide
1-Methyl-3'-hydroxy-2',6'-pipecoloxylidide
1-Methyl-4'-hydroxy-2',6'-pipecoloxylidide
1-Methylpipecolo-3'-hydroxy-2',6'-xylidide
3-Hydroxy Mepivacaine
N-(4-Hydroxy-2,6-dimethylphenyl)-1-methyl-2-piperidinecarboxamide
4'-hydroxy-1-methyl-2',6'-pipecoloxylidide
1-Methylpipecolo-4'-hydroxy-2',6'-xylidide
4-Hydroxy Mepivacaine
CAS Number
616-66-0
37055-90-6
PubChem SID
164226124
PubChem CID
71748868

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71748868 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.037705  H Acceptors
H Donor LogD (pH = 5.5) 1.2309853 
LogD (pH = 7.4) 2.6920457  Log P 2.8880546 
Molar Refractivity 78.3006 cm3 Polarizability 29.345844 Å3
Polar Surface Area 52.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
White Solid expand Show data source
Melting Point
>220°C (dec.) expand Show data source
195-197°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H825355 external link
A metabolite of Mepivacaine (M225060).
Toronto Research Chemicals - H825360 external link
A metabolite of Mepivacaine (M225060).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Cribb, A., et al.: Drug Metabol. Dispos., 19, 900 ( 1991), Brander, C., et al.: J. Immunol., 155, 2670 (1995)
  • • Padovan, E., et al.: Eur. J. Immunol., 27, 1303 (1995)
  • • Harkins, J.D. et al.: J. Vet. Pharmacol. Therap., 22, 107 (1999)
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PATENTS

PATENTS

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INTERNET

INTERNET

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