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57401-82-8 molecular structure
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(3R,4R)-3-ethyl-1-methyl-4-phenylpiperidin-4-yl propanoate hydrochloride

ChemBase ID: 172660
Molecular Formular: C17H26ClNO2
Molecular Mass: 311.84684
Monoisotopic Mass: 311.16520676
SMILES and InChIs

SMILES:
[C@@H]1([C@@](CCN(C1)C)(OC(=O)CC)c1ccccc1)CC.Cl
Canonical SMILES:
CC[C@@H]1CN(C)CC[C@]1(OC(=O)CC)c1ccccc1.Cl
InChI:
InChI=1S/C17H25NO2.ClH/c1-4-14-13-18(3)12-11-17(14,20-16(19)5-2)15-9-7-6-8-10-15;/h6-10,14H,4-5,11-13H2,1-3H3;1H/t14-,17-;/m1./s1
InChIKey:
MHZBPWPPBRJQTI-SATBOSKTSA-N

Cite this record

CBID:172660 http://www.chembase.cn/molecule-172660.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4R)-3-ethyl-1-methyl-4-phenylpiperidin-4-yl propanoate hydrochloride
IUPAC Traditional name
(3R,4R)-3-ethyl-1-methyl-4-phenylpiperidin-4-yl propanoate hydrochloride
Synonyms
(3R,4S)-rel-3-Ethyl-1-methyl-4-phenyl-4-piperidinol 4-Propanoate
(3R,4S)-rel- 3-Ethyl-1-methyl-4-phenyl-4-piperidinol Propanoate
cis-3-Ethyl-1-methyl-4-phenyl-4-Piperidinol Propanoate
α-3-Ethyl-1-methyl-4-phenyl- 4-Piperidinol Propionate
Alphameprodine
α-Meprodine Hydrochloride
trans-3-Ethyl-1-methyl-4-phenyl-4-piperidinol Propanoate
Betameprodin
Betameprodine
Meprodine
Nu 1932
β-3-Ethyl-1-methyl-4-phenyl-4-propionoxypiperidine
β-Meprodine Hydrochloride
(3R,4R)-rel-3-Ethyl-1-methyl-4-phenyl-4-piperidinol 4-Propanoate
CAS Number
57401-82-8
57401-80-6
PubChem SID
164228570
PubChem CID
21118926

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21118926 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.027126439  LogD (pH = 7.4) 1.5155181 
Log P 3.2220244  Molar Refractivity 81.0104 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)
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M224955 external link
Narcotic analgesic. The β-analogue of Proline (P755300).
Toronto Research Chemicals - M224950 external link
Narcotic analgesic. An analogue of Proline (P755300).

REFERENCES

REFERENCES

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  • • Iorio, M.A., et al.: J. Med. Chem., 20, 309 (1977)
  • • Iorio, M.A., et al.: J. Med. Chem., 20, 309 (1977)
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PATENTS

PATENTS

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INTERNET

INTERNET

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