3-chloro-4-(4-methylpiperazin-1-yl)aniline

3-chloro-4-(4-methylpiperazin-1-yl)aniline

CAS: 16154-72-6

Formula: C11H16ClN3

SMILES: CN1CCN(CC1)C1=CC=C(N)C=C1Cl

IUPAC: 3-chloro-4-(4-methylpiperazin-1-yl)aniline

InChI: InChI=1S/C11H16ClN3/c1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12/h2-3,8H,4-7,13H2,1H3

Composition: C (58.53%), H (7.15%), Cl (15.71%), N (18.62%)

Molar Mass: 225.72

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	225.1032752
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LOCKPKWGFIBYLB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.04
Topological Polar Surface Area	32.5
Polarizability	24.48
Ring Count	2
Rotatable Bond Count	1

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