methyl 2-(4-benzylpiperazin-1-yl)-5-fluorobenzoate

methyl 2-(4-benzylpiperazin-1-yl)-5-fluorobenzoate

CAS: 1256633-30-3

Formula: C19H21FN2O2

SMILES: COC(=O)C1=CC(F)=CC=C1N1CCN(CC2=CC=CC=C2)CC1

IUPAC: methyl 2-(4-benzylpiperazin-1-yl)-5-fluorobenzoate

InChI: InChI=1S/C19H21FN2O2/c1-24-19(23)17-13-16(20)7-8-18(17)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3

Composition: C (69.49%), H (6.45%), F (5.79%), N (8.53%), O (9.74%)

Molar Mass: 328.387

Atom Count: 45

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	328.158706087
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AGPAGDTZNRMSLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.39
Topological Polar Surface Area	32.78
Polarizability	35.14
Ring Count	3
Rotatable Bond Count	5

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