C1CNCCC1C2=NOC3=C2C=CC(=C3)F.Cl
CAS: 84163-13-3
Name: 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
SMILES: C1CNCCC1C2=NOC3=C2C=CC(=C3)F.Cl

Molecular Processing

Molecular formula
C12H14ClFN2O
Molecular weight
256.71
Exact mass
256.0779
XLogP
2.86
TPSA
38.06
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
66.06

Supplementary Information

InChIKey: CWPSRUREOSBKBQ-UHFFFAOYSA-N
Synonyms
84163-13-36-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochlorideR-56109 hydrochlorideX3U18DS1Y74-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine hydrochloride6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole monohydrochloride1,2-Benzisoxazole, 6-fluoro-3-(4-piperidinyl)-, hydrochloride (1:1)6-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole hydrochlorideDTXSID90233082RefChem:872107DTXCID90155573700-303-46-Fluoro-3-(4-piperidyl)-1,2-benzisoxazole hydrochloride6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole HClMFCD06658529UNII-X3U18DS1Y76-fluoro-3-piperidin-4-yl-benzo[d]isoxazole hydrochloride6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride6-Fluoro-3-(piperidin-4-yl)-1,2-benzisoxazole Hydrochloride1,2-Benzisoxazole, 6-fluoro-3-(4-piperidinyl)-, monohydrochlorideSCHEMBL531052orb30227966-fluoro-3-(4-piperidyl)-1,2-benzoxazole hydrochloride6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazolehydrochlorideTPL0218CWPSRUREOSBKBQ-UHFFFAOYSA-NPaliperidone USP Related Compound BEBC-13978SBB101788
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