tert-butyl 4-(3-methyl-4-nitrophenyl)piperazine-1-carboxylate

tert-butyl 4-(3-methyl-4-nitrophenyl)piperazine-1-carboxylate

Formula: C16H23N3O4

SMILES: CC1=C(C=CC(=C1)N1CCN(CC1)C(=O)OC(C)(C)C)[N+]([O-])=O

IUPAC: tert-butyl 4-(3-methyl-4-nitrophenyl)piperazine-1-carboxylate

InChI: InChI=1S/C16H23N3O4/c1-12-11-13(5-6-14(12)19(21)22)17-7-9-18(10-8-17)15(20)23-16(2,3)4/h5-6,11H,7-10H2,1-4H3

Composition: C (59.80%), H (7.21%), N (13.08%), O (19.91%)

Molar Mass: 321.377

Atom Count: 46

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	321.168856233
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DJXLXFWWETVERO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.6
Topological Polar Surface Area	75.92
Polarizability	32.88
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C16H23N3O4		Quote Only