sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2-Piperidineacetic acid, α-phenyl-, ethyl ester, hydrochloride (1:1)

2-Piperidineacetic acid, α-phenyl-, ethyl ester, hydrochloride (1:1)

CAS No.:
19716-79-1
Catalog Number:
AG002AN5
Molecular Formula:
C15H22ClNO2
Molecular Weight:
283.7937
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002AN5
Chemical Name:
2-Piperidineacetic acid, α-phenyl-, ethyl ester, hydrochloride (1:1)
CAS Number:
19716-79-1
Molecular Formula:
C15H22ClNO2
Molecular Weight:
283.7937
MDL Number:
MFCD16622249
IUPAC Name:
ethyl 2-phenyl-2-piperidin-2-ylacetate;hydrochloride
InChI:
InChI=1S/C15H21NO2.ClH/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3;1H
InChI Key:
ZNSNAOXTBUHNKX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1)C1CCCCN1.Cl
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.134g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.796g/mol
Monoisotopic Mass:
283.134g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and pharmacology of ethylphenidate enantiomers: the human transesterification metabolite of methylphenidate and ethanol. Journal of medicinal chemistry 20050421
Properties