Name: methyl {(2S,4R)-1-[4-methyl-1-(3-methylbutyl)pentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetate
SMILES:
COC(=O)C[C@@H]1CCN(C(CCC(C)C)CCC(C)C)[C@H](c2ccc(C(F)(F)F)cc2)C1Molecular Processing
Molecular formula
C26H40F3NO2
Molecular weight
455.61
Exact mass
455.3011
XLogP
7.26
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.731
Molar refractivity
122.18
Supplementary Information
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