4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]2-methyl-2-hydroxybutane fumarate

HCID 21960102

Basic information

Standard SMILES
CC(C)(O)CCN1CCC(c2noc3cc(F)ccc23)CC1.O=C(O)/C=C/C(=O)O
InChIKey
IUWSIQLBTXRUIP-WLHGVMLRSA-N
Molecular formula
C21H27FN2O6
Average molar mass
422.4 g/mol

Names & identifiers

Preferred name
4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]2-methyl-2-hydroxybutane fumarate
IUPAC
(E)-but-2-enedioic acid;4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylbutan-2-ol

Names & synonyms

SCHEMBL1545545IUWSIQLBTXRUIP-WLHGVMLRSA-N4 -[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1,2-benzisoxazol-3yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate4-[4-(6-Fluoro-1.2-benzisoxazol-3-yl)-1-piperidinyl]-2-methyl-2-hydroxybutane fumarate

Database identifiers

PubChem CID
21960102

Properties

Computed structural properties

Topological polar surface area
124 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
30

Related reactions

74 records

Compound notes

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