1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol

C13H16F3NO — CID 63587550

IUPAC1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)c(F)c1F)C1CCCNC1
InChIInChI=1S/C13H16F3NO/c1-13(18,8-3-2-6-17-7-8)9-4-5-10(14)12(16)11(9)15/h4-5,8,17-18H,2-3,6-7H2,1H3
InChIKeyFTUVLDWGGNXOPJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.31
Rot. Bonds2

About 1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol

1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol (PubChem CID 63587550) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol.

Molecular Properties

Compound Name1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol
PubChem CID63587550
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)c(F)c1F)C1CCCNC1
InChIInChI=1S/C13H16F3NO/c1-13(18,8-3-2-6-17-7-8)9-4-5-10(14)12(16)11(9)15/h4-5,8,17-18H,2-3,6-7H2,1H3
InChIKeyFTUVLDWGGNXOPJ-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-5-methylphenyl)-1-piperidin-3-ylethanol
CID 63586093
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
CID 63586623
1-(4-aminophenyl)-1-piperidin-3-ylethanol
CID 115032208
3-[1-(5-bromo-2-fluorophenyl)-1-fluoroethyl]piperidine
CID 112564899
1-cycloheptyl-1-piperidin-3-ylethanol
CID 82929213
1-(1-methylindol-3-yl)-1-piperidin-3-ylethanol
CID 82300700
1-(4-cyclobutylphenyl)-1-piperidin-3-ylethanol
CID 116505257
1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol
CID 112652978
1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 82303353
1-piperidin-3-yl-1-pyridin-3-ylethanol
CID 63585901
1-(3,4-dihydro-2H-chromen-8-yl)-1-piperidin-3-ylethanol
CID 114743230

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol?
The IUPAC name of 1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol (CID 63587550) is 1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol.
What is the SMILES notation for 1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol?
The canonical SMILES for 1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol is CC(O)(c1ccc(F)c(F)c1F)C1CCCNC1.
What is the InChIKey of 1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol?
The InChIKey is FTUVLDWGGNXOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-13(18,8-3-2-6-17-7-8)9-4-5-10(14)12(16)11(9)15/h4-5,8,17-18H,2-3,6-7H2,1H3.
What are the key properties of 1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol?
1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol has a molecular weight of 259.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol is sourced from PubChem (CID 63587550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).