4-Piperidin-1-yl-3-(trifluoromethyl)benzoic acid

HCID 59606549
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Basic information

Standard SMILES
O=C(O)c1ccc(N2CCCCC2)c(C(F)(F)F)c1
InChIKey
HAHBSQIQOLCLBF-UHFFFAOYSA-N
Molecular formula
C13H14F3NO2
Average molar mass
273.25 g/mol
Monoisotopic mass
273.09766318

Names & identifiers

Preferred name
4-Piperidin-1-yl-3-(trifluoromethyl)benzoic acid
IUPAC
4-piperidin-1-yl-3-(trifluoromethyl)benzoic acid

Names & synonyms

4-Piperidin-1-yl-3-(trifluoromethyl)benzoic acid677704-60-84-(Piperidin-1-yl)-3-(trifluoromethyl)benzoic acid4-(1-piperidinyl)-3-(trifluoromethyl)benzoic acidSCHEMBL2776207MFCD25239362AKOS020809384DB-331511A1-15395

Database identifiers

PubChem CID
59606549

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
19

Related reactions

7 records
New reaction record

Compound notes

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