1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol

C14H25F2NO2 — CID 157039642

IUPAC1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESOCC1CC(O)CCN1CCC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO2/c15-14(16)5-1-11(2-6-14)3-7-17-8-4-13(19)9-12(17)10-18/h11-13,18-19H,1-10H2
InChIKeyKMTGPMWHGAUTKY-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.02
Rot. Bonds4

About 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol

1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 157039642) has the molecular formula C14H25F2NO2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol
PubChem CID157039642
Molecular FormulaC14H25F2NO2
Molecular Weight277.35 g/mol
Exact Mass277.19
IUPAC Name1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESOCC1CC(O)CCN1CCC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO2/c15-14(16)5-1-11(2-6-14)3-7-17-8-4-13(19)9-12(17)10-18/h11-13,18-19H,1-10H2
InChIKeyKMTGPMWHGAUTKY-UHFFFAOYSA-N
XLogP2.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049565
1-Cyclohexyl-1-[methyl(1,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049570
(3S,5R)-1-(cyclohexylmethyl)-5-(difluoromethyl)piperidin-3-ol
CID 118321426
(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
(2R,3R,4R,5S)-2-methyl-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155302439
(2R,3R,4R,5S)-2-methyl-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 155302440

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol (CID 157039642) is 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol is OCC1CC(O)CCN1CCC1CCC(F)(F)CC1.
What is the InChIKey of 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is KMTGPMWHGAUTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2/c15-14(16)5-1-11(2-6-14)3-7-17-8-4-13(19)9-12(17)10-18/h11-13,18-19H,1-10H2.
What are the key properties of 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol?
1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 277.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-difluorocyclohexyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 157039642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).