(2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol

C13H18F2N2O4 — CID 171557231

IUPAC(2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol
SMILESCN1C[C@H](Oc2cccc(C(F)F)n2)[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C13H18F2N2O4/c1-17-5-9(12(20)11(19)8(17)6-18)21-10-4-2-3-7(16-10)13(14)15/h2-4,8-9,11-13,18-20H,5-6H2,1H3/t8-,9+,11+,12-/m1/s1
InChIKeyHIANMCAYPRVDLI-LLHIFLOGSA-N
MW304.29 g/mol
LogP-0.21
Rot. Bonds4

About (2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol

(2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol (PubChem CID 171557231) has the molecular formula C13H18F2N2O4 and a molecular weight of 304.29 g/mol. Its IUPAC name is (2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol
PubChem CID171557231
Molecular FormulaC13H18F2N2O4
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name(2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol
SMILESCN1C[C@H](Oc2cccc(C(F)F)n2)[C@@H](O)[C@@H](O)[C@H]1CO
InChIInChI=1S/C13H18F2N2O4/c1-17-5-9(12(20)11(19)8(17)6-18)21-10-4-2-3-7(16-10)13(14)15/h2-4,8-9,11-13,18-20H,5-6H2,1H3/t8-,9+,11+,12-/m1/s1
InChIKeyHIANMCAYPRVDLI-LLHIFLOGSA-N
XLogP-0.21
TPSA86.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-pyridin-3-yloxyhexyl)piperidine-3,4,5-triol
CID 60170344
2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
(6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
CID 75536860
(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane
CID 75536864
4-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 172433323
1,4-Dimethyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperazine
CID 172434078
N-methyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211020
N,2-dimethyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211029
(1R,2S,3R,5R)-3-(dimethylamino)-5-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentane-1,2-diol
CID 75529424
8-Methyl-3-{[6-(trifluoromethyl)pyridin-2-yl]oxy}-8-azabicyclo[3.2.1]octane
CID 110188167
9-[(6-Methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 122139662
(6-Trifluoromethyl-2,3-dihydro[1,4]dioxino[2,3-b]pyridine-2-yl)methanol
CID 66718751

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol?
The IUPAC name of (2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol (CID 171557231) is (2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol is CN1C[C@H](Oc2cccc(C(F)F)n2)[C@@H](O)[C@@H](O)[C@H]1CO.
What is the InChIKey of (2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol?
The InChIKey is HIANMCAYPRVDLI-LLHIFLOGSA-N. The full InChI is InChI=1S/C13H18F2N2O4/c1-17-5-9(12(20)11(19)8(17)6-18)21-10-4-2-3-7(16-10)13(14)15/h2-4,8-9,11-13,18-20H,5-6H2,1H3/t8-,9+,11+,12-/m1/s1.
What are the key properties of (2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol?
(2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol has a molecular weight of 304.29 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-5-[[6-(difluoromethyl)-2-pyridinyl]oxy]-2-(hydroxymethyl)-1-methylpiperidine-3,4-diol is sourced from PubChem (CID 171557231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).