4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid

4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid

CAS: 401804-56-6

Formula: C14H20N2O3

SMILES: CN1CCN(CCOC2=CC=C(C=C2)C(O)=O)CC1

IUPAC: 4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid

InChI: InChI=1S/C14H20N2O3/c1-15-6-8-16(9-7-15)10-11-19-13-4-2-12(3-5-13)14(17)18/h2-5H,6-11H2,1H3,(H,17,18)

Composition: C (63.62%), H (7.63%), N (10.60%), O (18.16%)

Molar Mass: 264.325

Atom Count: 39

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.147392512
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	MKUXKMKQINFDFG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.85
Topological Polar Surface Area	53.01
Polarizability	28.55
Ring Count	2
Rotatable Bond Count	5

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