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tert-butyl 4-cyano-4-[(4-nitrophenyl)amino]piperidine-1-carboxylate

tert-butyl 4-cyano-4-[(4-nitrophenyl)amino]piperidine-1-carboxylate

Formula: C17H22N4O4

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(NC1=CC=C(C=C1)[N+]([O-])=O)C#N

IUPAC: tert-butyl 4-cyano-4-[(4-nitrophenyl)amino]piperidine-1-carboxylate

InChI: InChI=1S/C17H22N4O4/c1-16(2,3)25-15(22)20-10-8-17(12-18,9-11-20)19-13-4-6-14(7-5-13)21(23)24/h4-7,19H,8-11H2,1-3H3

Composition: C (58.95%), H (6.40%), N (16.17%), O (18.48%)

Molar Mass: 346.387

Atom Count: 47

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 346.164105204
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey HSIIXVXTSGPOEL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.83
Topological Polar Surface Area 108.5
Polarizability 34.67
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
LabNetwork INC
Purity LeadTime Formula PacketSize UnitPrice
95% 1 Day C17H22N4O4 $294.84-$1,149.88$294.84$471.74$1,149.88
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