Name: tert-butyl cis(±)-4-(benzylamino)-3-[(2-methyl-2-propen-1-yl)oxy]piperidine-1-carboxylate
SMILES:
C=C(C)CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccccc1Molecular Processing
Molecular formula
C21H32N2O3
Molecular weight
360.5
Exact mass
360.2413
XLogP
3.75
TPSA
50.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
104.05
Supplementary Information
Details werden geladen…
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