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25384-18-3 molecular structure
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1-methyl-4-phenyl-3-(prop-2-en-1-yl)piperidin-4-yl propanoate hydrochloride

ChemBase ID: 159553
Molecular Formular: C18H26ClNO2
Molecular Mass: 323.85754
Monoisotopic Mass: 323.16520676
SMILES and InChIs

SMILES:
C1(C(CCN(C1)C)(OC(=O)CC)c1ccccc1)CC=C.Cl
Canonical SMILES:
C=CCC1CN(C)CCC1(OC(=O)CC)c1ccccc1.Cl
InChI:
InChI=1S/C18H25NO2.ClH/c1-4-9-16-14-19(3)13-12-18(16,21-17(20)5-2)15-10-7-6-8-11-15;/h4,6-8,10-11,16H,1,5,9,12-14H2,2-3H3;1H
InChIKey:
DQSICBXJIHWNLT-UHFFFAOYSA-N

Cite this record

CBID:159553 http://www.chembase.cn/molecule-159553.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-4-phenyl-3-(prop-2-en-1-yl)piperidin-4-yl propanoate hydrochloride
IUPAC Traditional name
allylprodine hydrochloride
Synonyms
Allylprodine Hydrochloride
1-Methyl-4-phenyl-3-(2-propen-1-yl)-4-piperidinol 4-Propanoate Hydrochloride
3-Allyl-1-methyl-4-phenyl-4-piperidinol Propionate Hydrochloride
Propionic Acid 3-Allyl-1-methyl-4-phenyl-4-piperidyl Ester Hydrochloride
3-Allyl-1-methyl-4-phenyl-4-propionyloxypiperidine Hydrochloride
Alperidine Hydrochloride
α-3-Allyl-1-methyl-4-phenyl-4-propionoxypiperidine Hydrochloride
CAS Number
25384-18-3
PubChem SID
162253688
PubChem CID
24842979

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A572300 external link Add to cart
PubChem 24842979 external link
Data Source Data ID Price
TRC
A572300 external link Add to cart Please log in.
Data Source Data ID
PubChem 24842979 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.07791951  LogD (pH = 7.4) 1.5737587 
Log P 3.362605  Molar Refractivity 85.6555 cm3
Polarizability 33.75848 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 - A572300 external link
Narcotic analgesic. Controlled substance (opiate).

REFERENCES

REFERENCES

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  • • Portoghese, P.S., et al.: J. Med. Chem., 24, 782 (1981)
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PATENTS

PATENTS

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INTERNET

INTERNET

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