2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol

C14H23F4NO3 — CID 155721065

IUPAC2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(CC2CCC(C(F)(F)F)CC2)C(CF)C(O)C1O
InChIInChI=1S/C14H23F4NO3/c15-5-10-12(21)13(22)11(20)7-19(10)6-8-1-3-9(4-2-8)14(16,17)18/h8-13,20-22H,1-7H2
InChIKeyAADCYLCMHOXUEH-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.09
Rot. Bonds3

About 2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol

2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (PubChem CID 155721065) has the molecular formula C14H23F4NO3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
PubChem CID155721065
Molecular FormulaC14H23F4NO3
Molecular Weight329.33 g/mol
Exact Mass329.16
IUPAC Name2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(CC2CCC(C(F)(F)F)CC2)C(CF)C(O)C1O
InChIInChI=1S/C14H23F4NO3/c15-5-10-12(21)13(22)11(20)7-19(10)6-8-1-3-9(4-2-8)14(16,17)18/h8-13,20-22H,1-7H2
InChIKeyAADCYLCMHOXUEH-UHFFFAOYSA-N
XLogP1.09
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
US12528773, Example 189
CID 166834197
(3S,4R,5R)-1-(((1s,4S)-4-(1,1-difluoroethyl)cyclohexyl)methyl)piperidine-3,4,5-triol and (3S,4R,5R)-1-(((1r,4R)-4-(1,1-difluoroethyl)cyclohexyl)methyl)piperidine-3,4,5-triol
CID 166834284
US12528773, Example 3
CID 166834305
(6R,7R,8S)-8-(difluoromethyl)-4-(5,5,5-trifluoropentyl)-4-azaspiro[2.5]octane-6,7-diol
CID 118199712
8-(Difluoromethyl)-4-(5,5,5-trifluoropentyl)-4-azaspiro[2.5]octane-6,7-diol
CID 123385146
(6R,7R)-8-(difluoromethyl)-4-(5,5,5-trifluoropentyl)-4-azaspiro[2.5]octane-6,7-diol
CID 126539718
(2R,3R,4R,5S)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-methylpiperidine-3,4,5-triol
CID 155286440
(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

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The IUPAC name of 2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol (CID 155721065) is 2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for 2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for 2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is OC1CN(CC2CCC(C(F)(F)F)CC2)C(CF)C(O)C1O.
What is the InChIKey of 2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
The InChIKey is AADCYLCMHOXUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F4NO3/c15-5-10-12(21)13(22)11(20)7-19(10)6-8-1-3-9(4-2-8)14(16,17)18/h8-13,20-22H,1-7H2.
What are the key properties of 2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol?
2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol has a molecular weight of 329.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 155721065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).