2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol

C14H24F3NO2 — CID 157039626

IUPAC2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESOCC1CC(O)CCN1CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)11-3-1-10(2-4-11)8-18-6-5-13(20)7-12(18)9-19/h10-13,19-20H,1-9H2
InChIKeyIDEOCGDKGWKMHO-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.17
Rot. Bonds3

About 2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol

2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol (PubChem CID 157039626) has the molecular formula C14H24F3NO2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
PubChem CID157039626
Molecular FormulaC14H24F3NO2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
SMILESOCC1CC(O)CCN1CC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)11-3-1-10(2-4-11)8-18-6-5-13(20)7-12(18)9-19/h10-13,19-20H,1-9H2
InChIKeyIDEOCGDKGWKMHO-UHFFFAOYSA-N
XLogP2.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US12528773, Example 1
CID 157039029
(3S,4R,5R)-1-(((1r,4R)-4-(difluoromethyl)cyclohexyl)methyl)piperidine-3,4,5-triol and (3S,4R,5R)-1-(((1s,4S)-4-(difluoromethyl)cyclohexyl)methyl)piperidine-3,4,5-triol
CID 157039128
1-[1-[(4-Methylcyclohexyl)methyl]piperidin-2-yl]ethanol
CID 75496940
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
CID 118321426
1-[[4-(Trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol
CID 127889594
(2R,3R,4R,5S)-1-[2-(4,4-difluorocyclohexyl)ethyl]-2-methylpiperidine-3,4,5-triol
CID 155286446
(2R,3R,4R,5S)-2-methyl-1-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286447
(2R,3R,4R,5S)-2-methyl-1-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286481
(2R,3R,4R,5S)-2-methyl-1-[2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidine-3,4,5-triol
CID 155286499
(2R,3R,4R,5S)-1-[(4,4-difluorocyclohexyl)methyl]-2-methylpiperidine-3,4,5-triol
CID 155286544
(2R,3R,4R,5S)-2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286565
(2S,3R,4R,5S)-2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155286634

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol (CID 157039626) is 2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol is OCC1CC(O)CCN1CC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is IDEOCGDKGWKMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c15-14(16,17)11-3-1-10(2-4-11)8-18-6-5-13(20)7-12(18)9-19/h10-13,19-20H,1-9H2.
What are the key properties of 2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol?
2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol has a molecular weight of 295.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 157039626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).