[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

C17H23F4NO2 — CID 72869527

IUPAC[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2cc(C(F)(F)F)ccc2F)C1
InChIInChI=1S/C17H23F4NO2/c1-24-8-6-16(12-23)5-2-7-22(11-16)10-13-9-14(17(19,20)21)3-4-15(13)18/h3-4,9,23H,2,5-8,10-12H2,1H3
InChIKeyJAMCUOBQNHMGIB-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.46
Rot. Bonds6

About [1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 72869527) has the molecular formula C17H23F4NO2 and a molecular weight of 349.37 g/mol. Its IUPAC name is [1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID72869527
Molecular FormulaC17H23F4NO2
Molecular Weight349.37 g/mol
Exact Mass349.17
IUPAC Name[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCOCCC1(CO)CCCN(Cc2cc(C(F)(F)F)ccc2F)C1
InChIInChI=1S/C17H23F4NO2/c1-24-8-6-16(12-23)5-2-7-22(11-16)10-13-9-14(17(19,20)21)3-4-15(13)18/h3-4,9,23H,2,5-8,10-12H2,1H3
InChIKeyJAMCUOBQNHMGIB-UHFFFAOYSA-N
XLogP3.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{1-(3,5-Difluorobenzyl)-4-[3-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 16191171
[3-(2-Fluorobenzyl)-1-(2,3,6-trifluorobenzyl)-3-piperidinyl]methanol
CID 23723683
[4-Benzyl-1-(2,3-difluorobenzyl)-4-piperidinyl]methanol
CID 16191556
[1-(2,5-Difluorobenzyl)-4-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16190999
[3-(2,4-Difluorobenzyl)-1-(4-ethylbenzyl)-3-piperidinyl]methanol
CID 45251706
4,4-Difluoro-1-(phenylmethyl)-3-piperidinemethanol
CID 68290143
[3-(4-Fluorobenzyl)-1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol
CID 23723239
{3-(2-Methoxyethyl)-1-[4-(trifluoromethyl)benzyl]-3-piperidinyl}methanol
CID 72844676
[1-(4-Ethylbenzyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72856393
[3-(2-Methoxyethyl)-1-(3-phenylpropyl)-3-piperidinyl]methanol
CID 72881605
[1-(4-Fluoro-3-methylbenzyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72889123
3-{[3-(Hydroxymethyl)-3-(3-methoxypropyl)-1-piperidinyl]methyl}benzonitrile
CID 72892721

Frequently Asked Questions

What is the IUPAC name of [1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 72869527) is [1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is COCCC1(CO)CCCN(Cc2cc(C(F)(F)F)ccc2F)C1.
What is the InChIKey of [1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is JAMCUOBQNHMGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F4NO2/c1-24-8-6-16(12-23)5-2-7-22(11-16)10-13-9-14(17(19,20)21)3-4-15(13)18/h3-4,9,23H,2,5-8,10-12H2,1H3.
What are the key properties of [1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 349.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72869527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).