tert-butyl 4-nitropiperidine-1-carboxylate

tert-butyl 4-nitropiperidine-1-carboxylate

CAS: 1228630-89-4

Formula: C10H18N2O4

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

IUPAC: tert-butyl 4-nitropiperidine-1-carboxylate

InChI: InChI=1S/C10H18N2O4/c1-10(2,3)16-9(13)11-6-4-8(5-7-11)12(14)15/h8H,4-7H2,1-3H3

Composition: C (52.16%), H (7.88%), N (12.17%), O (27.79%)

Molar Mass: 230.264

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	230.126657068
Formal Charge	0
FSP3	0.9
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XASYUHHGRZOCKH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.73
Topological Polar Surface Area	72.68
Polarizability	22.33
Ring Count	1
Rotatable Bond Count	3

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