Name: tert-Butyl 4-(2-nitrobenzylamino)piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(NCc2ccccc2[N+](=O)[O-])CC1Molecular Processing
Molecular formula
C17H25N3O4
Molecular weight
335.4
Exact mass
335.1845
XLogP
3.08
TPSA
84.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
90.77
Supplementary Information
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