Nombre: (S)-4-(aminomethyl)-1-(7-bromo-1,4-benzodioxan-2-ylmethyl)piperidine
SMILES:
NCC1CCN(C[C@H]2COc3ccc(Br)cc3O2)CC1Molecular Processing
Molecular formula
C15H21BrN2O2
Molecular weight
341.25
Exact mass
340.0786
XLogP
2.26
TPSA
47.72
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
82.27
Supplementary Information
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