1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine

C16H25F3N4O — CID 155721031

IUPAC1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
SMILESCC1CC(O)CCN1C.FC(F)(F)c1ncncc1N1CCCC1
InChIInChI=1S/C9H10F3N3.C7H15NO/c10-9(11,12)8-7(5-13-6-14-8)15-3-1-2-4-15;1-6-5-7(9)3-4-8(6)2/h5-6H,1-4H2;6-7,9H,3-5H2,1-2H3
InChIKeyQKNIEHOMHCNOCL-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.56
Rot. Bonds1

About 1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine

1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 155721031) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
PubChem CID155721031
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
SMILESCC1CC(O)CCN1C.FC(F)(F)c1ncncc1N1CCCC1
InChIInChI=1S/C9H10F3N3.C7H15NO/c10-9(11,12)8-7(5-13-6-14-8)15-3-1-2-4-15;1-6-5-7(9)3-4-8(6)2/h5-6H,1-4H2;6-7,9H,3-5H2,1-2H3
InChIKeyQKNIEHOMHCNOCL-UHFFFAOYSA-N
XLogP2.56
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 2795837
(2R,3R,4R,5S)-2-methyl-1-[[(3R)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286702
(2R,3R,4R,5S)-2-methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286706
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155302679
2-Methyl-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 155302681
1-[[1-[4-(Trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 157038998
1-Methylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
CID 157039024
1-[[(3S)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039137
1-[[(3R)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039271
2-(Hydroxymethyl)-1-[[1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 157039468
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[[(3R)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039509
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[[(3S)-1-[4-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039768

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine (CID 155721031) is 1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine is CC1CC(O)CCN1C.FC(F)(F)c1ncncc1N1CCCC1.
What is the InChIKey of 1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine?
The InChIKey is QKNIEHOMHCNOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3.C7H15NO/c10-9(11,12)8-7(5-13-6-14-8)15-3-1-2-4-15;1-6-5-7(9)3-4-8(6)2/h5-6H,1-4H2;6-7,9H,3-5H2,1-2H3.
What are the key properties of 1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine?
1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 346.40 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperidin-4-ol;5-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 155721031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).