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1000547-80-7 | 2-[3-(piperazin-1-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1000547-80-7 Catalog No: AG00JVA1 MDL No:
Product Description
Catalog Number:
AG00JVA1
Chemical Name:
2-[3-(piperazin-1-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1000547-80-7
Molecular Formula:
C15H19N3O2
Molecular Weight:
273.3303
IUPAC Name:
2-(3-piperazin-1-ylpropyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H19N3O2/c19-14-12-4-1-2-5-13(12)15(20)18(14)9-3-8-17-10-6-16-7-11-17/h1-2,4-5,16H,3,6-11H2
InChI Key:
DRHBTIYXNWOQDF-UHFFFAOYSA-N
SMILES:
O=C1N(CCCN2CCNCC2)C(=O)c2c1cccc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.148g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.336g/mol
Monoisotopic Mass:
273.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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