4-(4-benzylpiperazin-1-yl)-N-[(2-ethoxyphenyl)methyl]aniline

4-(4-benzylpiperazin-1-yl)-N-[(2-ethoxyphenyl)methyl]aniline

Formula: C26H31N3O

SMILES: CCOC1=CC=CC=C1CNC1=CC=C(C=C1)N1CCN(CC2=CC=CC=C2)CC1

IUPAC: 4-(4-benzylpiperazin-1-yl)-N-[(2-ethoxyphenyl)methyl]aniline

InChI: InChI=1S/C26H31N3O/c1-2-30-26-11-7-6-10-23(26)20-27-24-12-14-25(15-13-24)29-18-16-28(17-19-29)21-22-8-4-3-5-9-22/h3-15,27H,2,16-21H2,1H3

Composition: C (77.77%), H (7.78%), N (10.46%), O (3.98%)

Molar Mass: 401.554

Atom Count: 61

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	401.24671263
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NGICEPWKPFUJQS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	127.17
Topological Polar Surface Area	27.74
Polarizability	48.06
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H31N3O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00