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6270-42-4 molecular structure
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N,N-dimethylpiperidine-3-carboxamide hydrochloride

ChemBase ID: 48958
Molecular Formular: C8H17ClN2O
Molecular Mass: 192.68638
Monoisotopic Mass: 192.10294085
SMILES and InChIs

SMILES:
C(=O)(C1CNCCC1)N(C)C.Cl
Canonical SMILES:
O=C(C1CCCNC1)N(C)C.Cl
InChI:
InChI=1S/C8H16N2O.ClH/c1-10(2)8(11)7-4-3-5-9-6-7;/h7,9H,3-6H2,1-2H3;1H
InChIKey:
CAOCILIXPFSSGE-UHFFFAOYSA-N

Cite this record

CBID:48958 http://www.chembase.cn/molecule-48958.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethylpiperidine-3-carboxamide hydrochloride
IUPAC Traditional name
N,N-dimethylpiperidine-3-carboxamide hydrochloride
Synonyms
N,N-dimethylpiperidine-3-carboxamide hydrochloride
N,N-Dimethyl-3-piperidinecarboxamide hydrochloride
CAS Number
6270-42-4
MDL Number
MFCD07781029
PubChem SID
162053721
PubChem CID
47002385

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 47002385 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.5094488  LogD (pH = 7.4) -2.4910288 
Log P -0.32345086  Molar Refractivity 44.5369 cm3
Polarizability 17.470844 Å3 Polar Surface Area 32.34 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.049 expand Show data source
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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