1-[(4-bromophenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine

1-[(4-bromophenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine

Formula: C20H23BrN2O3

SMILES: COC1=CC(CN2CCN(CC3=CC=C(Br)C=C3)CC2)=CC2=C1OCO2

IUPAC: 1-[(4-bromophenyl)methyl]-4-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]piperazine

InChI: InChI=1S/C20H23BrN2O3/c1-24-18-10-16(11-19-20(18)26-14-25-19)13-23-8-6-22(7-9-23)12-15-2-4-17(21)5-3-15/h2-5,10-11H,6-9,12-14H2,1H3

Composition: C (57.29%), H (5.53%), Br (19.06%), N (6.68%), O (11.45%)

Molar Mass: 419.319

Atom Count: 49

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	418.089206
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	PXRPVQYSGNFOKO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.12
Topological Polar Surface Area	34.17
Polarizability	40.99
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H23BrN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00