1-(2H-1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine

1-(2H-1,3-benzodioxol-5-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine

Formula: C19H21N3O4

SMILES: [O-][N+](=O)C1=CC=CC(CN2CCN(CC3=CC=C4OCOC4=C3)CC2)=C1

IUPAC: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3-nitrophenyl)methyl]piperazine

InChI: InChI=1S/C19H21N3O4/c23-22(24)17-3-1-2-15(10-17)12-20-6-8-21(9-7-20)13-16-4-5-18-19(11-16)26-14-25-18/h1-5,10-11H,6-9,12-14H2

Composition: C (64.21%), H (5.96%), N (11.82%), O (18.01%)

Molar Mass: 355.394

Atom Count: 47

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	355.153206168
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	IMEHRNXVSBPIER-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.35
Topological Polar Surface Area	68.08
Polarizability	37.62
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00