2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine

C13H20F3N3O3 — CID 171557321

IUPAC2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine
SMILESCN1CCC(O)C(O)C1CO.Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H15NO3.C6H5F3N2/c1-8-3-2-6(10)7(11)5(8)4-9;7-6(8,9)4-2-1-3-5(10)11-4/h5-7,9-11H,2-4H2,1H3;1-3H,(H2,10,11)
InChIKeyZCQBHODWXQUBTF-UHFFFAOYSA-N
MW323.31 g/mol
LogP0.09
Rot. Bonds1

About 2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine

2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine (PubChem CID 171557321) has the molecular formula C13H20F3N3O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine
PubChem CID171557321
Molecular FormulaC13H20F3N3O3
Molecular Weight323.31 g/mol
Exact Mass323.15
IUPAC Name2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine
SMILESCN1CCC(O)C(O)C1CO.Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H15NO3.C6H5F3N2/c1-8-3-2-6(10)7(11)5(8)4-9;7-6(8,9)4-2-1-3-5(10)11-4/h5-7,9-11H,2-4H2,1H3;1-3H,(H2,10,11)
InChIKeyZCQBHODWXQUBTF-UHFFFAOYSA-N
XLogP0.09
TPSA102.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine 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

2-((6-(Trifluoromethyl)pyridin-2-yl)amino)propane-1,3-diol
CID 65314262
3-[[6-(Trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003580
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408673
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 167408811
4-(Hydroxymethyl)-1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-4-ol
CID 56755379
(2S)-1-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]hex-5-en-2-ol
CID 97321079
2-[(2S,6R)-2,6-dimethyl-4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanol
CID 137992408
(3S)-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-ol
CID 171359887
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286506
(2R,3R,4R,5S)-2-methyl-1-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286509
(2R,3R,4R,5S)-2-methyl-1-[[(3R)-1-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155302720
(2R,3R,4R,5S)-2-methyl-1-[[(3R)-1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155302753

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine (CID 171557321) is 2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine is CN1CCC(O)C(O)C1CO.Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZCQBHODWXQUBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.C6H5F3N2/c1-8-3-2-6(10)7(11)5(8)4-9;7-6(8,9)4-2-1-3-5(10)11-4/h5-7,9-11H,2-4H2,1H3;1-3H,(H2,10,11).
What are the key properties of 2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine?
2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 323.31 g/mol, XLogP of 0.09, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 171557321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).