1-[(4-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

1-[(4-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

Formula: C21H27N3O5

SMILES: COC1=CC(CN2CCN(CC3=CC=C(C=C3)[N+]([O-])=O)CC2)=CC(OC)=C1OC

IUPAC: 1-[(4-nitrophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

InChI: InChI=1S/C21H27N3O5/c1-27-19-12-17(13-20(28-2)21(19)29-3)15-23-10-8-22(9-11-23)14-16-4-6-18(7-5-16)24(25)26/h4-7,12-13H,8-11,14-15H2,1-3H3

Composition: C (62.83%), H (6.78%), N (10.47%), O (19.93%)

Molar Mass: 401.463

Atom Count: 56

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	401.195070981
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	JWTLKFZNBODQRY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.97
Topological Polar Surface Area	77.31
Polarizability	42.71
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H27N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00