methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate

HCID 3045249

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Basic information

CAS: 54593-35-0
Standard SMILES: COC(=O)[C@H](c1ccc(O)cc1)[C@H]1CCCCN1
InChIKey: XVXFNANJMMTNSO-CHWSQXEVSA-N
Molecular formula: C14H19NO3
Average molar mass: 249.3 g/mol
Monoisotopic mass: 249.13649347

Names & identifiers

Preferred name: methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
IUPAC: methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate

Names & synonyms

CHEMBL1253698methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate(R)-methyl 2-(4-hydroxyphenyl)-2-((R)-piperidin-2-yl)acetateDTXSID40969849BDBM50327139DB-230643Methyl (4-hydroxyphenyl)(piperidin-2-yl)acetateMethyl (2R)-(4-hydroxyphenyl)[(2R)-piperidin-2-yl]acetate

Database identifiers

CAS: 54593-35-0
PubChem CID: 3045249
DTXSID: DTXSID40969849
ChEMBL: CHEMBL1253698
Nikkaji: J723.306J

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 274

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