methyl 3-amino-2-{[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl}benzoate

methyl 3-amino-2-{[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl}benzoate

CAS: 865660-19-1

Formula: C21H27N3O2

SMILES: COC(=O)C1=C(CN2CCN(CC2)C2=C(C)C=CC=C2C)C(N)=CC=C1

IUPAC: methyl 3-amino-2-{[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl}benzoate

InChI: InChI=1S/C21H27N3O2/c1-15-6-4-7-16(2)20(15)24-12-10-23(11-13-24)14-18-17(21(25)26-3)8-5-9-19(18)22/h4-9H,10-14,22H2,1-3H3

Composition: C (71.36%), H (7.70%), N (11.89%), O (9.05%)

Molar Mass: 353.466

Atom Count: 53

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	353.210327121
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IBBWSQHOBDVPGV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.96
Topological Polar Surface Area	58.8
Polarizability	40.16
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	865660-19-1		$51.35-$524.40$51.35$63.37$86.31$524.40