Basic information
- CAS
101670-59-1- Standard SMILES
CN1CCC(OC(=O)C(O)(c2ccccc2)c2ccns2)CC1- InChIKey
DUBGPZZEEYRMDD-UHFFFAOYSA-N- Molecular formula
- C17H20N2O3S
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.11946368
Names & identifiers
- Preferred name
- 1-Methylpiperidin-4-yl hydroxy(phenyl)(1,2-thiazol-5-yl)acetate
- IUPAC
- (1-methylpiperidin-4-yl) 2-hydroxy-2-phenyl-2-(1,2-thiazol-5-yl)acetate
Names & synonyms
101670-59-1DTXSID109064681-Methylpiperidin-4-yl hydroxy(phenyl)(1,2-thiazol-5-yl)acetateRefChem:1055890DTXCID901335566NSC6658821-Methyl-4-piperidyl 5-isothiazyl(phenyl)glycolate5-ISOTHIAZINEGLYCOLIC ACID, alpha-PHENYL-, 1-METHYL-4-PIPERIDYL ESTERCHEMBL19845471-Methyl-4-piperidinyl hydroxy(5-isothiazolyl)phenylacetateNSC-665882NCI60_022822
Show more names
(1-methyl-4-piperidyl) 2-hydroxy-2-isothiazol-5-yl-2-phenyl-acetate
Database identifiers
- CAS
101670-59-1- PubChem CID
- 58705
- DTXSID
DTXSID10906468- ChEMBL
CHEMBL1984547
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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