Home > Compound List > Compound details
162254840 molecular structure
click picture or here to close

ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenyl(2,2,6,6-2H4)piperidine-4-carboxylate

ChemBase ID: 160705
Molecular Formular: C22H28N2O2
Molecular Mass: 352.46992
Monoisotopic Mass: 352.21507815
SMILES and InChIs

SMILES:
C1C(CCN(C1)CCc1ccc(cc1)N)(C(=O)OCC)c1ccccc1
Canonical SMILES:
CCOC(=O)C1(CCN(CC1)CCc1ccc(cc1)N)c1ccccc1
InChI:
InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3
InChIKey:
LKYQLAWMNBFNJT-UHFFFAOYSA-N

Cite this record

CBID:160705 http://www.chembase.cn/molecule-160705.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenyl(2,2,6,6-2H4)piperidine-4-carboxylate
IUPAC Traditional name
ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenyl(2,2,6,6-2H4)piperidine-4-carboxylate
Synonyms
1-[2-(4-Aminophenyl)ethyl]-4-phenyl-4-(piperidinec-d4)arboxylic Acid Ethyl Ester
1-(p-Aminophenethyl)-4-phenylisonipecotic Acid-d4 Ethyl Ester
1-(p-Aminophenethyl)-4-phenyl(piperidine-d4)-4-carboxylic Acid Ethyl Ester
Adopol-d4
Alidine-d4
Apidol-d4
Ethyl 1-(4-Aminophenethyl)-4-phenylisonipecotate-d4
Leritin-d4
Leritine-d4
Nipecotan-d4
Anileridine-d4
PubChem SID
162254840
PubChem CID
71313440

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A660752 external link Add to cart
PubChem 71313440 external link
Data Source Data ID Price
TRC
A660752 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313440 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.47604656  LogD (pH = 7.4) 2.1516032 
Log P 3.6400087  Molar Refractivity 106.5517 cm3
Polarizability 40.977856 Å3 Polar Surface Area 55.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A660752 external link
A labelled synthetic analgesic drug. 4-phenylpiperidine derivative that is an analog of Meperidine (M223900) with increased analgesic activity.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Freeman, D.S. et al.: J. Pharamcol. Exp. Therap., 203, 203 (1977)
  • • Abbit, F.V.: Phamacol. Biochem. Behav., 24, 1247 (1977)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle