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125-80-4 molecular structure
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1,2,5-trimethyl-4-phenylpiperidin-4-yl propanoate hydrochloride

ChemBase ID: 179199
Molecular Formular: C17H26ClNO2
Molecular Mass: 311.84684
Monoisotopic Mass: 311.16520676
SMILES and InChIs

SMILES:
C1(C(CC(N(C1)C)C)(OC(=O)CC)c1ccccc1)C.Cl
Canonical SMILES:
CCC(=O)OC1(CC(C)N(CC1C)C)c1ccccc1.Cl
InChI:
InChI=1S/C17H25NO2.ClH/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-14(3)18(4)12-13(17)2;/h6-10,13-14H,5,11-12H2,1-4H3;1H
InChIKey:
USGVEUCDHRWIRO-UHFFFAOYSA-N

Cite this record

CBID:179199 http://www.chembase.cn/molecule-179199.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2,5-trimethyl-4-phenylpiperidin-4-yl propanoate hydrochloride
IUPAC Traditional name
promedol hydrochloride
Synonyms
1,2,5-Trimethyl-4-phenyl-4-piperidinol 4-Propanoate Hydrochloride
1,2,5-Trimethyl-4-phenyl-4-piperidinol Propionate Hydrochloride
Propionic Acid 1,2,5-Trimethyl-4-phenyl-4-piperidyl Ester Hydrochloride
11,2,5-Trimethyl-4-phenyl-4-(propionoxy)piperidine Hydrochloride
1,2,5-Trimethyl-4-phenyl-4-piperidol Propionate Hydrochloride
Dimethylmeperidine
Promedol Hydrochloride
Trimeperidine Hydrochloride
CAS Number
125-80-4
PubChem SID
164235109
PubChem CID
98519

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T795800 external link Add to cart
PubChem 98519 external link
Data Source Data ID Price
TRC
T795800 external link Add to cart Please log in.
Data Source Data ID
PubChem 98519 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.07135766  LogD (pH = 7.4) 1.4510638 
Log P 3.1940308  Molar Refractivity 80.8282 cm3
Polarizability 32.151123 Å3 Polar Surface Area 29.54 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 - T795800 external link
Analgesic (narcotic). Controlled substance (opiate).

REFERENCES

REFERENCES

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  • • Diamond, et al.: J. Med. Chem., 7, 57 (1964)
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PATENTS

PATENTS

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INTERNET

INTERNET

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