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136749-03-6

136749-03-6 | Piperidine, 1-(2-phenylethyl)-4-(phenylmethyl)-

CAS No: 136749-03-6 Catalog No: AG0012AK MDL No:

Product Description

Catalog Number:
AG0012AK
Chemical Name:
Piperidine, 1-(2-phenylethyl)-4-(phenylmethyl)-
CAS Number:
136749-03-6
Molecular Formula:
C20H25N
Molecular Weight:
279.4192
IUPAC Name:
4-benzyl-1-(2-phenylethyl)piperidine
InChI:
InChI=1S/C20H25N/c1-3-7-18(8-4-1)11-14-21-15-12-20(13-16-21)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2
InChI Key:
FKVJGSPOLUAUNN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCN1CCC(CC1)Cc1ccccc1

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.199g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.427g/mol
Monoisotopic Mass:
279.199g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

Literature

Title Journal
Discovery and structure-activity relationship of N-(ureidoalkyl)-benzyl-piperidines as potent small molecule CC chemokine receptor-3 (CCR3) antagonists. Journal of medicinal chemistry 20020815

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