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90203-05-7 molecular structure
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dimethyl(piperidin-3-ylmethyl)amine

ChemBase ID: 15763
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
C1C(CNCC1)CN(C)C
Canonical SMILES:
CN(CC1CCCNC1)C
InChI:
InChI=1S/C8H18N2/c1-10(2)7-8-4-3-5-9-6-8/h8-9H,3-7H2,1-2H3
InChIKey:
QOVQVKFKBHWTAA-UHFFFAOYSA-N

Cite this record

CBID:15763 http://www.chembase.cn/molecule-15763.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl(piperidin-3-ylmethyl)amine
IUPAC Traditional name
dimethyl(piperidin-3-ylmethyl)amine
Synonyms
N,N-Dimethyl-1-piperidin-3-ylmethanamine
N,N-dimethyl-1-(3-piperidinyl)methanamine
N,N-dimethyl-N-(piperidin-3-ylmethyl)amine
CAS Number
90203-05-7
MDL Number
MFCD05215128
PubChem SID
160979070
PubChem CID
16768076

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.551058  LogD (pH = 7.4) -3.4077182 
Log P 0.33608514  Molar Refractivity 44.8637 cm3
Polarizability 17.811394 Å3 Polar Surface Area 15.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.249 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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