Name: 4-(5-fluoro-2-methoxyphenyl)piperidine-1-carboxylic acid t-butyl ester
SMILES:
COc1ccc(F)cc1C1CCN(C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C17H24FNO3
Molecular weight
309.38
Exact mass
309.174
XLogP
3.95
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
82.73
Supplementary Information
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