1-[4-(Trifluoromethoxy)phenyl]piperidin-4-ol

Substructure search Find similar structures

Basic information

CAS: 681508-69-0
Standard SMILES: OC1CCN(c2ccc(OC(F)(F)F)cc2)CC1
InChIKey: CKLFVCILFQQBTR-UHFFFAOYSA-N
Molecular formula: C12H14F3NO2
Average molar mass: 261.24 g/mol
Monoisotopic mass: 261.09766318

Names & identifiers

Preferred name: 1-[4-(Trifluoromethoxy)phenyl]piperidin-4-ol
IUPAC: 1-[4-(trifluoromethoxy)phenyl]piperidin-4-ol

Names & synonyms

681508-69-01-[4-(Trifluoromethoxy)phenyl]piperidin-4-ol1-(4-(Trifluoromethoxy)phenyl)piperidin-4-olSCHEMBL1244796DTXSID60630382AT519911-(4-trifluoromethoxyphenyl)piperidin-4-ol

Database identifiers

CAS: 681508-69-0
PubChem CID: 23081570
DTXSID: DTXSID60630382

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 257

Related reactions

2 records

New reaction record

HRID 310805As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 856026As productuspto-grants-2007_08

Compound notes

Loading…