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1018568-58-5 | 2-(piperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CAS No: 1018568-58-5 Catalog No: AG01AGYD MDL No:MFCD10011127
Product Description
Catalog Number:
AG01AGYD
Chemical Name:
2-(piperazin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
CAS Number:
1018568-58-5
Molecular Formula:
C15H21N3O
Molecular Weight:
259.3467
MDL Number:
MFCD10011127
IUPAC Name:
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperazin-1-ylethanone
InChI:
InChI=1S/C15H21N3O/c19-15(12-17-10-7-16-8-11-17)18-9-3-5-13-4-1-2-6-14(13)18/h1-2,4,6,16H,3,5,7-12H2
InChI Key:
CYNQCTLKESINQS-UHFFFAOYSA-N
SMILES:
O=C(N1CCCc2c1cccc2)CN1CCNCC1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.353g/mol
Monoisotopic Mass:
259.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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