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1071618-25-1 molecular structure
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propan-2-yl 1-methyl-4-phenylpiperidine-4-carboxylate hydrochloride

ChemBase ID: 177005
Molecular Formular: C16H24ClNO2
Molecular Mass: 297.82026
Monoisotopic Mass: 297.14955669
SMILES and InChIs

SMILES:
C1C(CCN(C1)C)(C(=O)OC(C)C)c1ccccc1.Cl
Canonical SMILES:
CN1CCC(CC1)(C(=O)OC(C)C)c1ccccc1.Cl
InChI:
InChI=1S/C16H23NO2.ClH/c1-13(2)19-15(18)16(9-11-17(3)12-10-16)14-7-5-4-6-8-14;/h4-8,13H,9-12H2,1-3H3;1H
InChIKey:
VYVLFCINFLFVBI-UHFFFAOYSA-N

Cite this record

CBID:177005 http://www.chembase.cn/molecule-177005.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propan-2-yl 1-methyl-4-phenylpiperidine-4-carboxylate hydrochloride
IUPAC Traditional name
properidine hydrochloride
Synonyms
1-Methyl-4-phenyl-4-piperidinecarboxylic Acid 1-Methylethyl Ester Hydrochloride
1-Methyl-4-phenylisonipecotic Acid Isopropyl Ester Hydrochloride
1-Methyl-4-phenylpiperidine-4-carboxylic Acid Isopropyl Ester Hydrochloride
Gevelina Hydrochloride
Ipropethidine Hydrochloride
Isopedine Hydrochloride
Isopropyl 1-Methyl-4-phenylisonipecotate Hydrochloride
Isopropyl 1-Methyl-4-phenylpiperidine-4-carboxylate Hydrochloride
Properidin Hydrochloride
Properidine Hydrochloride
CAS Number
1071618-25-1
PubChem SID
164232915
PubChem CID
71751820

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P769500 external link Add to cart
PubChem 71751820 external link
Data Source Data ID Price
TRC
P769500 external link Add to cart Please log in.
Data Source Data ID
PubChem 71751820 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.27021196  LogD (pH = 7.4) 2.0438964 
Log P 2.8723755  Molar Refractivity 76.9025 cm3
Polarizability 30.30936 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 - P769500 external link
A potential drug of abuse, protected against misuse.

REFERENCES

REFERENCES

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  • • Meyers, J., et al.: Drugs Topics, 141, 98 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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