2,4-bis(4-methylpiperazin-1-yl)aniline

2,4-bis(4-methylpiperazin-1-yl)aniline

CAS: 797813-15-1

Formula: C16H27N5

SMILES: CN1CCN(CC1)C1=CC(N2CCN(C)CC2)=C(N)C=C1

IUPAC: 2,4-bis(4-methylpiperazin-1-yl)aniline

InChI: InChI=1S/C16H27N5/c1-18-5-9-20(10-6-18)14-3-4-15(17)16(13-14)21-11-7-19(2)8-12-21/h3-4,13H,5-12,17H2,1-2H3

Composition: C (66.40%), H (9.40%), N (24.20%)

Molar Mass: 289.427

Atom Count: 48

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	289.226645889
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KAJCFZUIUCDMNV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.72
Topological Polar Surface Area	38.98
Polarizability	33.77
Ring Count	3
Rotatable Bond Count	2

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