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

C13H21F3N4O2 — CID 171557241

IUPAC1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)N1CCC(O)C(O)C1.Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H17NO2.C5H4F3N3/c1-6(2)9-4-3-7(10)8(11)5-9;6-5(7,8)3-1-2-10-4(9)11-3/h6-8,10-11H,3-5H2,1-2H3;1-2H,(H2,9,10,11)
InChIKeyKQPCFPFDTQOKRG-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.90
Rot. Bonds1

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

1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171557241) has the molecular formula C13H21F3N4O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171557241
Molecular FormulaC13H21F3N4O2
Molecular Weight322.33 g/mol
Exact Mass322.16
IUPAC Name1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)N1CCC(O)C(O)C1.Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H17NO2.C5H4F3N3/c1-6(2)9-4-3-7(10)8(11)5-9;6-5(7,8)3-1-2-10-4(9)11-3/h6-8,10-11H,3-5H2,1-2H3;1-2H,(H2,9,10,11)
InChIKeyKQPCFPFDTQOKRG-UHFFFAOYSA-N
XLogP0.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-[(1,4-Dimethylpiperazin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine
CID 172437603
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 2795837
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 165180153
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxane-3,4-diol
CID 165180234
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

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine (CID 171557241) is 1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine is CC(C)N1CCC(O)C(O)C1.Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KQPCFPFDTQOKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C5H4F3N3/c1-6(2)9-4-3-7(10)8(11)5-9;6-5(7,8)3-1-2-10-4(9)11-3/h6-8,10-11H,3-5H2,1-2H3;1-2H,(H2,9,10,11).
What are the key properties of 1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine?
1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 322.33 g/mol, XLogP of 0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidine-3,4-diol;4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171557241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).