2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol

C14H17F4NO2 — CID 67403133

IUPAC2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol
SMILESOC(C(F)(F)F)C1(F)CCN(OCc2ccccc2)CC1
InChIInChI=1S/C14H17F4NO2/c15-13(12(20)14(16,17)18)6-8-19(9-7-13)21-10-11-4-2-1-3-5-11/h1-5,12,20H,6-10H2
InChIKeyLWFZGXWFBYANLM-UHFFFAOYSA-N
MW307.29 g/mol
LogP2.85
Rot. Bonds4

About 2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol

2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol (PubChem CID 67403133) has the molecular formula C14H17F4NO2 and a molecular weight of 307.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol
PubChem CID67403133
Molecular FormulaC14H17F4NO2
Molecular Weight307.29 g/mol
Exact Mass307.12
IUPAC Name2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol
SMILESOC(C(F)(F)F)C1(F)CCN(OCc2ccccc2)CC1
InChIInChI=1S/C14H17F4NO2/c15-13(12(20)14(16,17)18)6-8-19(9-7-13)21-10-11-4-2-1-3-5-11/h1-5,12,20H,6-10H2
InChIKeyLWFZGXWFBYANLM-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-phenylmethoxypiperidine
CID 12722207
cyclopropyl-(4-phenylmethoxypiperazin-1-yl)methanone
CID 118075267
4-hydroxy-8-phenylmethoxy-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]decan-2-one
CID 66803937
benzyl 4-fluoro-4-(2,2,2-trifluoro-1-triethylsilyloxyethyl)piperidine-1-carboxylate
CID 67401396
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
benzyl 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-azaspiro[2.5]octane-2-carboxylate
CID 167068857
2-phenylmethoxyethane-1,1-diol
CID 59866645
4-(2-methylphenyl)-1-phenylmethoxypiperidine
CID 57061277
1-phenylmethoxyazetidin-3-amine
CID 162036959
1-phenylmethoxy-5,5-bis(trifluoromethyl)-4H-triazole
CID 14894319
3,3,3-trifluoro-2-(phenylmethoxymethyl)propanoic acid
CID 23113141
benzyl N-carbamoyl-N-[(2R)-1-phenyl-3-piperidin-1-yloxypropan-2-yl]carbamate
CID 70187024

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol (CID 67403133) is 2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol is OC(C(F)(F)F)C1(F)CCN(OCc2ccccc2)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol?
The InChIKey is LWFZGXWFBYANLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO2/c15-13(12(20)14(16,17)18)6-8-19(9-7-13)21-10-11-4-2-1-3-5-11/h1-5,12,20H,6-10H2.
What are the key properties of 2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol?
2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol has a molecular weight of 307.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol is sourced from PubChem (CID 67403133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).