4-({4-[(2-bromophenyl)amino]piperidin-1-yl}methyl)-2,6-dimethoxyphenol

4-({4-[(2-bromophenyl)amino]piperidin-1-yl}methyl)-2,6-dimethoxyphenol

Formula: C20H25BrN2O3

SMILES: COC1=CC(CN2CCC(CC2)NC2=CC=CC=C2Br)=CC(OC)=C1O

IUPAC: 4-({4-[(2-bromophenyl)amino]piperidin-1-yl}methyl)-2,6-dimethoxyphenol

InChI: InChI=1S/C20H25BrN2O3/c1-25-18-11-14(12-19(26-2)20(18)24)13-23-9-7-15(8-10-23)22-17-6-4-3-5-16(17)21/h3-6,11-12,15,22,24H,7-10,13H2,1-2H3

Composition: C (57.01%), H (5.98%), Br (18.96%), N (6.65%), O (11.39%)

Molar Mass: 421.335

Atom Count: 51

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	420.104856
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	RSTPEQPFKBJWIO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.85
Topological Polar Surface Area	53.96
Polarizability	41.28
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H25BrN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00