2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol

C16H22F3NO2 — CID 111111621

IUPAC2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C16H22F3NO2/c17-16(18,19)12-22-15-6-3-4-13(10-15)11-20-8-2-1-5-14(20)7-9-21/h3-4,6,10,14,21H,1-2,5,7-9,11-12H2
InChIKeyNNEPYXOFJMAGDI-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.36
Rot. Bonds6

About 2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol

2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol (PubChem CID 111111621) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol
PubChem CID111111621
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1Cc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C16H22F3NO2/c17-16(18,19)12-22-15-6-3-4-13(10-15)11-20-8-2-1-5-14(20)7-9-21/h3-4,6,10,14,21H,1-2,5,7-9,11-12H2
InChIKeyNNEPYXOFJMAGDI-UHFFFAOYSA-N
XLogP3.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol
CID 74247164
N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide
CID 95718043
2-[3-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 77080552
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111048087
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62217691
(9aS)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124784718
2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95895040
1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 60579858
2-[1-[(2-hydrazinyl-4-pyridinyl)methyl]piperidin-2-yl]ethanol
CID 62469935
2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]azepan-4-yl]acetic acid
CID 120953620

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol (CID 111111621) is 2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol is OCCC1CCCCN1Cc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol?
The InChIKey is NNEPYXOFJMAGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c17-16(18,19)12-22-15-6-3-4-13(10-15)11-20-8-2-1-5-14(20)7-9-21/h3-4,6,10,14,21H,1-2,5,7-9,11-12H2.
What are the key properties of 2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol?
2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol has a molecular weight of 317.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 111111621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).