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

[(3-ethoxy-4-methoxyphenyl)methyl]({1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl}methyl)methylamine

ChemBase ID: 340428
Molecular Formular: C25H35FN2O2
Molecular Mass: 414.5560032
Monoisotopic Mass: 414.26825659
SMILES and InChIs

SMILES:
N1(CCc2cc(F)ccc2)CCC(CN(Cc2cc(c(cc2)OC)OCC)C)CC1
Canonical SMILES:
CCOc1cc(ccc1OC)CN(CC1CCN(CC1)CCc1cccc(c1)F)C
InChI:
InChI=1S/C25H35FN2O2/c1-4-30-25-17-22(8-9-24(25)29-3)19-27(2)18-21-11-14-28(15-12-21)13-10-20-6-5-7-23(26)16-20/h5-9,16-17,21H,4,10-15,18-19H2,1-3H3
InChIKey:
UDZAIBUBOISPCU-UHFFFAOYSA-N

Cite this record

CBID:340428 http://www.chembase.cn/molecule-340428.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-ethoxy-4-methoxyphenyl)methyl]({1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl}methyl)methylamine
IUPAC Traditional name
[(3-ethoxy-4-methoxyphenyl)methyl]({1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl}methyl)methylamine
Synonyms
(3-ethoxy-4-methoxybenzyl)({1-[2-(3-fluorophenyl)ethyl]-4-piperidinyl}methyl)methylamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13873667 external link Add to cart
Data Source Data ID Price
ChemBridge
13873667 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) -1.8689355  LogD (pH = 7.4) 1.1234841 
Log P 4.599351  Molar Refractivity 122.1288 cm3
Polarizability 47.112362 Å3 Polar Surface Area 24.94 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.91  LOG S -3.82 
Polar Surface Area 24.94 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