1-(2H-1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one

1-(2H-1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one

CAS: 84707-48-2

Formula: C20H22N2O3

SMILES: O=C(CCN1CCN(CC1)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1

IUPAC: 1-(2H-1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one

InChI: InChI=1S/C20H22N2O3/c23-18(16-6-7-19-20(14-16)25-15-24-19)8-9-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-7,14H,8-13,15H2

Composition: C (70.99%), H (6.55%), N (8.28%), O (14.18%)

Molar Mass: 338.407

Atom Count: 47

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	338.163042576
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	DPZDJGRIQFGMEL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.9
Topological Polar Surface Area	42.01
Polarizability	37.27
Ring Count	4
Rotatable Bond Count	5

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90%	<2 Days	84707-48-2		$51.35-$524.40$51.35$63.37$86.31$524.40