1-(4-tert-butylbenzoyl)-4-phenylpiperazine

1-(4-tert-butylbenzoyl)-4-phenylpiperazine

CAS: 330216-79-0

Formula: C21H26N2O

SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)N1CCN(CC1)C1=CC=CC=C1

IUPAC: 1-(4-tert-butylbenzoyl)-4-phenylpiperazine

InChI: InChI=1S/C21H26N2O/c1-21(2,3)18-11-9-17(10-12-18)20(24)23-15-13-22(14-16-23)19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3

Composition: C (78.22%), H (8.13%), N (8.69%), O (4.96%)

Molar Mass: 322.452

Atom Count: 50

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	322.204513465
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RZXGWGGNXRADRN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.14
Topological Polar Surface Area	23.55
Polarizability	37.84
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	330216-79-0		$51.35-$86.31$51.35$63.37$86.31