1-(2H-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

1-(2H-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

CAS: 344569-55-7

Formula: C20H21FN2O3

SMILES: FC1=CC=C(C=C1)N1CCN(CCC(=O)C2=CC3=C(OCO3)C=C2)CC1

IUPAC: 1-(2H-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

InChI: InChI=1S/C20H21FN2O3/c21-16-2-4-17(5-3-16)23-11-9-22(10-12-23)8-7-18(24)15-1-6-19-20(13-15)26-14-25-19/h1-6,13H,7-12,14H2

Composition: C (67.40%), H (5.94%), F (5.33%), N (7.86%), O (13.47%)

Molar Mass: 356.397

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	356.153620707
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	UXAGONRYZHDTEV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.12
Topological Polar Surface Area	42.01
Polarizability	36.94
Ring Count	4
Rotatable Bond Count	5

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90%	<2 Days	344569-55-7		$51.35-$86.31$51.35$63.37$86.31