2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone

C21H28F3NO2 — CID 25280363

IUPAC2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H28F3NO2/c22-21(23,24)18-7-3-6-17(12-18)14-20(15-26)8-10-25(11-9-20)19(27)13-16-4-1-2-5-16/h3,6-7,12,16,26H,1-2,4-5,8-11,13-15H2
InChIKeyPDKHZLBAEHFGDX-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.43
Rot. Bonds5

About 2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone (PubChem CID 25280363) has the molecular formula C21H28F3NO2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone
PubChem CID25280363
Molecular FormulaC21H28F3NO2
Molecular Weight383.45 g/mol
Exact Mass383.21
IUPAC Name2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H28F3NO2/c22-21(23,24)18-7-3-6-17(12-18)14-20(15-26)8-10-25(11-9-20)19(27)13-16-4-1-2-5-16/h3,6-7,12,16,26H,1-2,4-5,8-11,13-15H2
InChIKeyPDKHZLBAEHFGDX-UHFFFAOYSA-N
XLogP4.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

[1-(3-Butenoyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23724064
[3-(2-Phenylethyl)-1-(4,4,4-trifluorobutanoyl)-3-piperidinyl]methanol
CID 23723355
{1-[(1-Methylcyclopropyl)carbonyl]-4-[3-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 23723853
[3-(2-Methylbenzyl)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]methanol
CID 23723342
{3-(2,4-Difluorobenzyl)-1-[(3-fluorophenyl)acetyl]piperidin-3-yl}methanol
CID 23723237
[4-(2-Phenylethyl)-1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methanol
CID 23723811
[4-(2-phenylethyl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidin-4-yl]methanol
CID 16188733
1-(tert-Butoxycarbonyl)-4-[3-(trifluoromethyl)benzyl]piperidine-4-carboxylic aci
CID 45074197
1-[4-(2-Methoxyethyl)piperidino]-2-[3-(trifluoromethyl)phenyl]-1-ethanone
CID 53150813
Cyclopentyl-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 56783974
(1R*,3S*)-7-{[2-(trifluoromethyl)phenyl]acetyl}-7-azaspiro[3.5]nonane-1,3-diol
CID 72894172
4-Benzyl-1-(cyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 22240880

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone (CID 25280363) is 2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(CO)(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is PDKHZLBAEHFGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3NO2/c22-21(23,24)18-7-3-6-17(12-18)14-20(15-26)8-10-25(11-9-20)19(27)13-16-4-1-2-5-16/h3,6-7,12,16,26H,1-2,4-5,8-11,13-15H2.
What are the key properties of 2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 383.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 25280363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).