Home > Compound List > Compound details
 molecular structure
click picture or here to close

ethyl 4-({[2-(2-methyl-1H-imidazol-1-yl)phenyl]methyl}amino)piperidine-1-carboxylate

ChemBase ID: 360071
Molecular Formular: C19H26N4O2
Molecular Mass: 342.43534
Monoisotopic Mass: 342.20557609
SMILES and InChIs

SMILES:
n1(c(ncc1)C)c1c(CNC2CCN(C(=O)OCC)CC2)cccc1
Canonical SMILES:
CCOC(=O)N1CCC(CC1)NCc1ccccc1n1ccnc1C
InChI:
InChI=1S/C19H26N4O2/c1-3-25-19(24)22-11-8-17(9-12-22)21-14-16-6-4-5-7-18(16)23-13-10-20-15(23)2/h4-7,10,13,17,21H,3,8-9,11-12,14H2,1-2H3
InChIKey:
BQEDLOVQJSMRSQ-UHFFFAOYSA-N

Cite this record

CBID:360071 http://www.chembase.cn/molecule-360071.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 4-({[2-(2-methyl-1H-imidazol-1-yl)phenyl]methyl}amino)piperidine-1-carboxylate
IUPAC Traditional name
ethyl 4-({[2-(2-methylimidazol-1-yl)phenyl]methyl}amino)piperidine-1-carboxylate
Synonyms
ethyl 4-{[2-(2-methyl-1H-imidazol-1-yl)benzyl]amino}piperidine-1-carboxylate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 16756647 external link Add to cart
Data Source Data ID Price
ChemBridge
16756647 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -2.5075321  LogD (pH = 7.4) -0.88024324 
Log P 1.6476234  Molar Refractivity 107.7896 cm3
Polarizability 38.447323 Å3 Polar Surface Area 59.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.35  LOG S -2.7 
Polar Surface Area 59.39 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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