(2E)-1-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one

(2E)-1-[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one

Formula: C21H22N2O3

SMILES: O=C(C=CC1=CC=CC=C1)N1CCN(CC2=CC=C3OCOC3=C2)CC1

IUPAC: (2E)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-phenylprop-2-en-1-one

InChI: InChI=1S/C21H22N2O3/c24-21(9-7-17-4-2-1-3-5-17)23-12-10-22(11-13-23)15-18-6-8-19-20(14-18)26-16-25-19/h1-9,14H,10-13,15-16H2/b9-7+

Composition: C (71.98%), H (6.33%), N (7.99%), O (13.70%)

Molar Mass: 350.418

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	350.163042576
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IINZXZGRAXLCIG-VQHVLOKHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.11
Topological Polar Surface Area	42.01
Polarizability	38.88
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00