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tert-butyl 4-(4-nitrophenyl)piperidine-1-carboxylate

tert-butyl 4-(4-nitrophenyl)piperidine-1-carboxylate

CAS: 170011-56-0

Formula: C16H22N2O4

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

IUPAC: tert-butyl 4-(4-nitrophenyl)piperidine-1-carboxylate

InChI: InChI=1S/C16H22N2O4/c1-16(2,3)22-15(19)17-10-8-13(9-11-17)12-4-6-14(7-5-12)18(20)21/h4-7,13H,8-11H2,1-3H3

Composition: C (62.73%), H (7.24%), N (9.14%), O (20.89%)

Molar Mass: 306.362

Atom Count: 44

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 306.157957196
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HNXBHNXMRSXDRQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.79
Topological Polar Surface Area 72.68
Polarizability 31.8
Ring Count 2
Rotatable Bond Count 4

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