[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

C20H33F3N2O3 — CID 157039583

IUPAC[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CC1)N1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C20H33F3N2O3/c21-20(22,23)16-3-1-15(2-4-16)19(28)24-8-5-14(6-9-24)12-25-10-7-18(27)11-17(25)13-26/h14-18,26-27H,1-13H2
InChIKeyNNESOOAZLHSDCU-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.41
Rot. Bonds4

About [4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 157039583) has the molecular formula C20H33F3N2O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is [4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID157039583
Molecular FormulaC20H33F3N2O3
Molecular Weight406.49 g/mol
Exact Mass406.24
IUPAC Name[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCC(C(F)(F)F)CC1)N1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C20H33F3N2O3/c21-20(22,23)16-3-1-15(2-4-16)19(28)24-8-5-14(6-9-24)12-25-10-7-18(27)11-17(25)13-26/h14-18,26-27H,1-13H2
InChIKeyNNESOOAZLHSDCU-UHFFFAOYSA-N
XLogP2.41
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone with MolForge

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Related Compounds

[4-(trifluoromethyl)cyclohexyl]-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 155286712
[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 155721036
[4-[(4-Hydroxypiperidin-1-yl)methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 157039115
[4-(Trifluoromethyl)cyclohexyl]-[4-[(3,4,5-trihydroxypiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 157039347
[4-(trifluoromethyl)cyclohexyl]-[4-[[(2S,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 157039500
[4-(trifluoromethyl)cyclohexyl]-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 157039675
[4-(trifluoromethyl)cyclohexyl]-[4-[[(3R,5S)-3,4,5-trihydroxypiperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 166834289
[4-[[(2R,5R)-5-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 169928472
[2-(Hydroxymethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932522
(4,4-Difluorocyclohexyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81932547
[1-(2,2-Difluoroethyl)piperidin-4-yl]-[3-(2-hydroxycyclohexyl)morpholin-4-yl]methanone
CID 132303452
Cyclopentyl-[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]methanone
CID 157039378

Frequently Asked Questions

What is the IUPAC name of [4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (CID 157039583) is [4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCC(C(F)(F)F)CC1)N1CCC(CN2CCC(O)CC2CO)CC1.
What is the InChIKey of [4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is NNESOOAZLHSDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33F3N2O3/c21-20(22,23)16-3-1-15(2-4-16)19(28)24-8-5-14(6-9-24)12-25-10-7-18(27)11-17(25)13-26/h14-18,26-27H,1-13H2.
What are the key properties of [4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
[4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 406.49 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 157039583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).