Home > Compound List > Compound details
MFCD00673883 molecular structure
click picture or here to close

2-(morpholin-4-yl)ethyl 1-phenylcyclohexane-1-carboxylate hydrochloride

ChemBase ID: 132928
Molecular Formular: C19H28ClNO3
Molecular Mass: 353.88352
Monoisotopic Mass: 353.17577144
SMILES and InChIs

SMILES:
c1ccc(cc1)C1(CCCCC1)C(=O)OCCN1CCOCC1.Cl
Canonical SMILES:
O=C(C1(CCCCC1)c1ccccc1)OCCN1CCOCC1.Cl
InChI:
InChI=1S/C19H27NO3.ClH/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17;/h1,3-4,7-8H,2,5-6,9-16H2;1H
InChIKey:
QUJWFJNHTBKCLU-UHFFFAOYSA-N

Cite this record

CBID:132928 http://www.chembase.cn/molecule-132928.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(morpholin-4-yl)ethyl 1-phenylcyclohexane-1-carboxylate hydrochloride
IUPAC Traditional name
2-(morpholin-4-yl)ethyl 1-phenylcyclohexane-1-carboxylate hydrochloride
Synonyms
2-(4-morpholinethyl)-1-phenylcyclohexanecarboxylate hydrochloride
PRE-084
MDL Number
MFCD00673883
PubChem SID
24278627
162227205
PubChem CID
11314197

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
P2607 external link Add to cart Please log in.
Data Source Data ID
PubChem 11314197 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8968062  LogD (pH = 7.4) 3.5085382 
Log P 3.526013  Molar Refractivity 90.3046 cm3
Polarizability 35.790855 Å3 Polar Surface Area 38.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Bioassay(PubChem)
Solubility
H2O: ≤24 mg/mL expand Show data source
Apperance
solid expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Gene Information
human ... OPRS1(10280)rat ... Oprs1(29336), Slc6a3(24898) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P2607 external link
Biochem/physiol Actions
Potent and highly selective σ1 opioid receptor agonist.

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