Benzyl 4-fluoromethyl-4-hydroxy-1-piperidinecarboxylate

HCID 22744595

Notes Reactions

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Basic information

CAS: 240400-86-6
Standard SMILES: O=C(OCc1ccccc1)N1CCC(O)(CF)CC1
InChIKey: XPSUWCDOSZUMSO-UHFFFAOYSA-N
Molecular formula: C14H18FNO3
Average molar mass: 267.3 g/mol
Monoisotopic mass: 267.1270716

Names & identifiers

Preferred name: Benzyl 4-fluoromethyl-4-hydroxy-1-piperidinecarboxylate
IUPAC: benzyl 4-(fluoromethyl)-4-hydroxypiperidine-1-carboxylate

Names & synonyms

SCHEMBL6773206Benzyl 4-fluoromethyl-4-hydroxy-1-piperidinecarboxylateXPSUWCDOSZUMSO-UHFFFAOYSA-NDTXSID801175707240400-86-6benzyl 4-(fluoromethyl)-4-hydroxypiperidine-1-carboxylatePhenylmethyl 4-(fluoromethyl)-4-hydroxy-1-piperidinecarboxylate

Database identifiers

CAS: 240400-86-6
PubChem CID: 22744595
DTXSID: DTXSID801175707

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 297

Related reactions

3 records

New reaction record

HRID 47312As productuspto-grants-2004_03

HRID 806185As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 2300148As productuspto-grants-2002_12

Compound notes

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