1-(4-tert-butylbenzoyl)-4-(3-chlorophenyl)piperazine

1-(4-tert-butylbenzoyl)-4-(3-chlorophenyl)piperazine

CAS: 330216-78-9

Formula: C21H25ClN2O

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

IUPAC: 1-(4-tert-butylbenzoyl)-4-(3-chlorophenyl)piperazine

InChI: InChI=1S/C21H25ClN2O/c1-21(2,3)17-9-7-16(8-10-17)20(25)24-13-11-23(12-14-24)19-6-4-5-18(22)15-19/h4-10,15H,11-14H2,1-3H3

Composition: C (70.67%), H (7.06%), Cl (9.93%), N (7.85%), O (4.48%)

Molar Mass: 356.89

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	356.1655411
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XMYJRTLQEAYIIE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	104.95
Topological Polar Surface Area	23.55
Polarizability	39.68
Ring Count	3
Rotatable Bond Count	3

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