1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine

C11H17F3N4O2 — CID 171557391

IUPAC1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCC(O)C(O)C1.Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C6H13NO2.C5H4F3N3/c1-7-3-2-5(8)6(9)4-7;6-5(7,8)3-1-2-10-4(9)11-3/h5-6,8-9H,2-4H2,1H3;1-2H,(H2,9,10,11)
InChIKeySQCKCNQMYVXZEF-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.12
Rot. Bonds

About 1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine

1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171557391) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171557391
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN1CCC(O)C(O)C1.Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C6H13NO2.C5H4F3N3/c1-7-3-2-5(8)6(9)4-7;6-5(7,8)3-1-2-10-4(9)11-3/h5-6,8-9H,2-4H2,1H3;1-2H,(H2,9,10,11)
InChIKeySQCKCNQMYVXZEF-UHFFFAOYSA-N
XLogP0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Piperidin-4-yloxy)-4-(trifluoromethyl)pyrimidine
CID 23133612
N-[(4-ethylmorpholin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53592753
3-(Piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 70767573
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 2795837
US12528773, Example 26
CID 166834392
(2R,3R,4R,5S)-5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-2-(hydroxymethyl)oxane-3,4-diol
CID 168087405
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol
CID 171557748
(3S,4R,5S)-1-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol
CID 171557976
(3S,4R,5S)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-3,4-diol
CID 171558056
2-[2-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol
CID 2795939
2-{4-[4-(Trifluoromethyl)pyrimidin-2-yl]piperazino}ethan-1-ol
CID 2795979
1-[4-[[Methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 53616828

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine (CID 171557391) is 1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine is CN1CCC(O)C(O)C1.Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is SQCKCNQMYVXZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C5H4F3N3/c1-7-3-2-5(8)6(9)4-7;6-5(7,8)3-1-2-10-4(9)11-3/h5-6,8-9H,2-4H2,1H3;1-2H,(H2,9,10,11).
What are the key properties of 1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 294.28 g/mol, XLogP of 0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171557391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).