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1254058-34-8 | Benzenamine, 3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-
CAS No: 1254058-34-8 Catalog No: AG000NNR MDL No:MFCD28129029
Product Description
Catalog Number:
AG000NNR
Chemical Name:
Benzenamine, 3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-
CAS Number:
1254058-34-8
Molecular Formula:
C17H28N4O
Molecular Weight:
304.4304
MDL Number:
MFCD28129029
IUPAC Name:
3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
InChI:
InChI=1S/C17H28N4O/c1-19-9-11-20(12-10-19)15-5-7-21(8-6-15)16-4-3-14(18)13-17(16)22-2/h3-4,13,15H,5-12,18H2,1-2H3
InChI Key:
JHPDGTZPYTWLTG-UHFFFAOYSA-N
SMILES:
COc1cc(N)ccc1N1CCC(CC1)N1CCN(CC1)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.226g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.438g/mol
Monoisotopic Mass:
304.226g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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