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72216-57-0

72216-57-0 | ETHYL 1-BENZYL-4-PHENYL-4-PIPERIDINECARBOXYLATE

CAS No: 72216-57-0 Catalog No: AG005JFR MDL No:

Product Description

Catalog Number:
AG005JFR
Chemical Name:
ETHYL 1-BENZYL-4-PHENYL-4-PIPERIDINECARBOXYLATE
CAS Number:
72216-57-0
Molecular Formula:
C21H25NO2
Molecular Weight:
323.4287
IUPAC Name:
ethyl 1-benzyl-4-phenylpiperidine-4-carboxylate;hydrochloride
InChI:
InChI=1S/C21H25NO2.ClH/c1-2-24-20(23)21(19-11-7-4-8-12-19)13-15-22(16-14-21)17-18-9-5-3-6-10-18;/h3-12H,2,13-17H2,1H3;1H
InChI Key:
KQAIRFACCGTUDP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCN(CC1)Cc1ccccc1)c1ccccc1
NSC Number:
100262

Properties

Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.165g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
359.894g/mol
Monoisotopic Mass:
359.165g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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