C1CNCCC1C2=NOC3=C2C=CC(=C3)F
CAS: 84163-77-9
Name: 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
SMILES: C1CNCCC1C2=NOC3=C2C=CC(=C3)F

Molecular Processing

Molecular formula
C12H13FN2O
Molecular weight
220.25
Exact mass
220.1012
XLogP
2.43
TPSA
38.06
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
58.81

Supplementary Information

InChIKey: MRMGJMGHPJZSAE-UHFFFAOYSA-N
Synonyme
3-(4-piperidyl)-6-fluoro-1,2-benzisoxazoleRefChem:54316384163-77-96-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole6-Fluoro-3-piperidin-4-yl-benzo[d]isoxazole1,2-benzisoxazole, 6-fluoro-3-(4-piperidinyl)-6-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole6-fluoro-3-piperidin-4-yl-1,2-benzoxazoleMFCD032367246-FLUORO-3-(PIPERIDIN-4-YL)-1,2-BENZISOXAZOLER-561093-(4-Piperidinyl)-6-fluorobenzo(d)isoxazole4-(6-Fluorobenzo(d)isoxazol-3-yl)piperidine6-Fluoro-3-(4-piperidinyl)-12-benzisoxazole3911L280X63-(4-PIPERIDINYL)-6-FLUOROBENZO[D]ISOXAZOLE4-(6-FLUOROBENZO[D]ISOXAZOL-3-YL)PIPERIDINE6-fluoro-3-(4-piperidyl)benzo[d]isoxazoleRisperidone EP Impurity MRisperidone impurity M [EP]UNII-3911L280X64-(6-fluoro-1,2-benzisoxazol-3-yl)-piperidine6-fluoro-3-(4-piperidyl)-1,2-benzoxazole3-(4-piperidinyl)-6-fluoro-1,2-benzisoxazole6-fluoro-3-(4-piperidinyl)-1,2-benzoisoxazole6-FLUORO-3-(4-PIPERIDINYL)BENZISOXAZOLESCHEMBL461287orb3029271
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