CCOC(=O)c1ccc(CC2CCN(C)CC2)c(C(F)(F)F)c1
Name: ethyl 4-(1-methylpiperidin-4-ylmethyl)-3-trifluoromethylbenzoate
SMILES: CCOC(=O)c1ccc(CC2CCN(C)CC2)c(C(F)(F)F)c1

Molecular Processing

Molecular formula
C17H22F3NO2
Molecular weight
329.36
Exact mass
329.1603
XLogP
3.77
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
81.33

Supplementary Information

Details werden geladen…

An 4 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→