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3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline

3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline

CAS: 1254058-34-8

Formula: C17H28N4O

SMILES: COC1=CC(N)=CC=C1N1CCC(CC1)N1CCN(C)CC1

IUPAC: 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

Composition: C (67.07%), H (9.27%), N (18.40%), O (5.26%)

Molar Mass: 304.438

Atom Count: 50

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 304.226311538
Formal Charge 0
FSP3 0.65
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey JHPDGTZPYTWLTG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.15
Topological Polar Surface Area 44.97
Polarizability 35.14
Ring Count 3
Rotatable Bond Count 3

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