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857531-07-8 | Piperidine, 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]-
CAS No: 857531-07-8 Catalog No: AG004RZJ MDL No:
Product Description
Catalog Number:
AG004RZJ
Chemical Name:
Piperidine, 4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]-
CAS Number:
857531-07-8
Molecular Formula:
C20H21N3
Molecular Weight:
303.4008
IUPAC Name:
4-phenyl-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
InChI:
InChI=1S/C20H21N3/c1-2-4-18(5-3-1)20(10-12-21-13-11-20)19-8-6-16(7-9-19)17-14-22-23-15-17/h1-9,14-15,21H,10-13H2,(H,22,23)
InChI Key:
LKFDJWGYWDCRPC-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)(c1ccc(cc1)c1c[nH]nc1)c1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.409g/mol
Monoisotopic Mass:
303.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Identification of inhibitors of protein kinase B using fragment-based lead discovery. | Journal of medicinal chemistry 20070517 |
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