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27262-40-4 molecular structure
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(2S)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide

ChemBase ID: 67715
Molecular Formular: C14H20N2O
Molecular Mass: 232.3214
Monoisotopic Mass: 232.15756327
SMILES and InChIs

SMILES:
N1[C@@H](CCCC1)C(=O)Nc1c(cccc1C)C
Canonical SMILES:
O=C([C@@H]1CCCCN1)Nc1c(C)cccc1C
InChI:
InChI=1S/C14H20N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKey:
SILRCGDPZGQJOQ-LBPRGKRZSA-N

Cite this record

CBID:67715 http://www.chembase.cn/molecule-67715.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
IUPAC Traditional name
(2S)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
Synonyms
(S)-N-(2,6-Dimethylphenyl)piperidine-2-carboxamide
CAS Number
27262-40-4
PubChem SID
162033450
PubChem CID
10014180

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 10014180 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.6328125  H Acceptors
H Donor LogD (pH = 5.5) -0.038040735 
LogD (pH = 7.4) 1.6142436  Log P 2.8085718 
Molar Refractivity 71.025 cm3 Polarizability 26.906809 Å3
Polar Surface Area 41.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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