Home > Compound List > Compound details
864247-56-3 molecular structure
click picture or here to close

1-ethyl-N-methylpiperidin-4-amine

ChemBase ID: 60423
Molecular Formular: C8H18N2
Molecular Mass: 142.24192
Monoisotopic Mass: 142.14699859
SMILES and InChIs

SMILES:
N1(CCC(CC1)NC)CC
Canonical SMILES:
CNC1CCN(CC1)CC
InChI:
InChI=1S/C8H18N2/c1-3-10-6-4-8(9-2)5-7-10/h8-9H,3-7H2,1-2H3
InChIKey:
FYPFTVGAZOKJRE-UHFFFAOYSA-N

Cite this record

CBID:60423 http://www.chembase.cn/molecule-60423.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-N-methylpiperidin-4-amine
IUPAC Traditional name
1-ethyl-N-methylpiperidin-4-amine
Synonyms
1-Ethyl-N-methylpiperidin-4-amine
1-ethyl-N-methyl-4-piperidinamine
CAS Number
864247-56-3
MDL Number
MFCD09042756
PubChem SID
162026164
PubChem CID
16770471

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16770471 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) -3.3363357  Log P 0.19073561 
Molar Refractivity 44.8931 cm3 Polarizability 17.811394 Å3
Polar Surface Area 15.27 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -5.383707 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.069 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

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle