2-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-4-bromophenol

2-{[4-(2H-1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-4-bromophenol

Formula: C19H21BrN2O3

SMILES: OC1=CC=C(Br)C=C1CN1CCN(CC2=CC=C3OCOC3=C2)CC1

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

InChI: InChI=1S/C19H21BrN2O3/c20-16-2-3-17(23)15(10-16)12-22-7-5-21(6-8-22)11-14-1-4-18-19(9-14)25-13-24-18/h1-4,9-10,23H,5-8,11-13H2

Composition: C (56.31%), H (5.22%), Br (19.72%), N (6.91%), O (11.84%)

Molar Mass: 405.292

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	404.073556
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	RVOVMAFDZCKQOX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.63
Topological Polar Surface Area	45.17
Polarizability	39.09
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21BrN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00