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3627-49-4 molecular structure
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ethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride

ChemBase ID: 176486
Molecular Formular: C23H30ClNO3
Molecular Mass: 403.9422
Monoisotopic Mass: 403.19142151
SMILES and InChIs

SMILES:
C1C(CCN(C1)CCC(c1ccccc1)O)(C(=O)OCC)c1ccccc1.Cl
Canonical SMILES:
CCOC(=O)C1(CCN(CC1)CCC(c1ccccc1)O)c1ccccc1.Cl
InChI:
InChI=1S/C23H29NO3.ClH/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19;/h3-12,21,25H,2,13-18H2,1H3;1H
InChIKey:
HGEAGOBQOIMDQV-UHFFFAOYSA-N

Cite this record

CBID:176486 http://www.chembase.cn/molecule-176486.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-(3-hydroxy-3-phenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride
IUPAC Traditional name
phenoperidine hydrochloride
Synonyms
1-(3-Hydroxy-3-phenylpropyl)-4-phenyl-4-piperidinecarboxylic Acid Ethyl Ester Hydrochloride
1-(3-Hydroxy-3-phenylpropyl)-4-phenylisonipecotic Acid Ethyl Ester Hydrochloride
3-(4-Carbethoxy-4-phenylpiperidino)-1-phenyl-1-propanol Hydrochloride
Lealgin
Operidine
Phenoperidine Hydrochloride
CAS Number
3627-49-4
PubChem SID
164232396
PubChem CID
19260

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P317200 external link Add to cart
PubChem 19260 external link
Data Source Data ID Price
TRC
P317200 external link Add to cart Please log in.
Data Source Data ID
PubChem 19260 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.443497  H Acceptors
H Donor LogD (pH = 5.5) 0.6413684 
LogD (pH = 7.4) 2.3679214  Log P 3.6098983 
Molar Refractivity 107.9242 cm3 Polarizability 42.36591 Å3
Polar Surface Area 49.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P317200 external link
Analgesic (narcotic). Controlled substance (opiate).

REFERENCES

REFERENCES

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  • • Janssen, E., et al.: J. Med. Pharm. Chem., 2, 31 (1960)
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PATENTS

PATENTS

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INTERNET

INTERNET

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