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89007-22-7 | Piperazine, 1-(phenylacetyl)-4-(3-pyridinylmethyl)-
CAS No: 89007-22-7 Catalog No: AG00461A MDL No:
Product Description
Catalog Number:
AG00461A
Chemical Name:
Piperazine, 1-(phenylacetyl)-4-(3-pyridinylmethyl)-
CAS Number:
89007-22-7
Molecular Formula:
C18H21N3O
Molecular Weight:
295.3788
IUPAC Name:
2-phenyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C18H21N3O/c22-18(13-16-5-2-1-3-6-16)21-11-9-20(10-12-21)15-17-7-4-8-19-14-17/h1-8,14H,9-13,15H2
InChI Key:
RIAXQDZEJCDCEP-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1cccnc1)Cc1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.386g/mol
Monoisotopic Mass:
295.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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