tert-butyl 4-(2-nitrophenoxy)piperidine-1-carboxylate

tert-butyl 4-(2-nitrophenoxy)piperidine-1-carboxylate

CAS: 690632-03-2

Formula: C16H22N2O5

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OC1=CC=CC=C1[N+]([O-])=O

IUPAC: tert-butyl 4-(2-nitrophenoxy)piperidine-1-carboxylate

InChI: InChI=1S/C16H22N2O5/c1-16(2,3)23-15(19)17-10-8-12(9-11-17)22-14-7-5-4-6-13(14)18(20)21/h4-7,12H,8-11H2,1-3H3

Composition: C (59.62%), H (6.88%), N (8.69%), O (24.82%)

Molar Mass: 322.361

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	322.152871816
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QQKRXIBPRNXHHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.99
Topological Polar Surface Area	81.91
Polarizability	32.52
Ring Count	2
Rotatable Bond Count	5

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